Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 5/20 | 0.56 |
| ▸ | CA12 | O43570 | 2/20 | 0.56 |
| ▸ | CA9 | Q16790 | 2/20 | 0.56 |
| ▸ | F11 | P03951 | 1/20 | 0.56 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.51 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.51 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.51 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA3 | P07451 | 1/20 | 0.48 |
| ▸ | CA4 | P22748 | 1/20 | 0.48 |
| ▸ | CA6 | P23280 | 1/20 | 0.48 |
| ▸ | CA5A | P35218 | 1/20 | 0.48 |
| ▸ | CA7 | P43166 | 1/20 | 0.48 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.48 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.48 |
| ▸ | AR | P10275 | 1/20 | 0.45 |
| ▸ | KIF11 | P52732 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL15651757 | 0.86 | CYP2A6 (0.58) | CYP2A6CA12CA9F11PDE3B | |
| SCHEMBL29955387 | 0.86 | CYP2A6 (0.58) | CYP2A6CA12CA9F11PDE3B | |
| SCHEMBL9411128 | 0.83 | CA12 (0.59) | CYP2A6CA12CA9F11PDE3B | |
| Cyanide SCHEMBL25405038 | 0.75 | CA12 (0.46) | CA12CA9F11PDE3BPDE3A | |
| SCHEMBL10838112 | 0.74 | PDE3B (0.49) | CA12CA9F11PDE3BPDE3A | |
| SCHEMBL10838109 | 0.74 | PDE3B (0.49) | CA12CA9F11PDE3BPDE3A | |
| SCHEMBL6031111 | 0.74 | CA12 (0.62) | CA12CA9F11PDE3BPDE3A | |
| SCHEMBL977774 | 0.73 | CYP2A6 (0.54) | CYP2A6 | |
| SCHEMBL4074346 | 0.73 | CYP2A6 (0.53) | CYP2A6KIF11MAPT | |
| SCHEMBL12777895 | 0.73 | CYP2A6 (0.52) | CYP2A6KIF11 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3197879-B1 | NEW BICYCLIC DERIVATIVES HAVING BETA2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES | ALMIRALL SA (ES) | 2020-02-26 | — | — | EP | disclosed |
| CN-106715414-B | With 2 adrenaline excitant of β and the active new bicyclic derivatives of M3 muscarinic antagonist | 阿尔米雷尔有限公司 | 2019-08-30 | — | — | CN | disclosed |
| US-20190111044-A1 | 2-PHENETHENYLTETRAHYDRO ISOQUINOLINES USEFUL AS ANTI-HIV COMPOUNDS | Prosetta Antiviral, Inc. | 2019-04-18 | — | — | US | disclosed |
| US-10195189-B2 | 2-phenethenyltetrahydro isoquinolines useful as anti-HIV compounds | Prosetta Antiviral, Inc. (US) | 2019-02-05 | — | — | US | disclosed |
| US-10005771-B2 | Bicyclic derivatives having β2 adrenergic agonist and M3 muscarinic antagonist activities | ALMIRALL, S.A. (ES) | 2018-06-26 | — | — | US | disclosed |
| US-20170368051-A1 | 2-PHENETHENYLTETRAHYDRO ISOQUINOLINES USEFUL AS ANTI-HIV COMPOUNDS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2017-12-28 | — | — | US | disclosed |
| US-20170275277-A1 | NEW BICYCLIC DERIVATIVES HAVING BETA2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES | ALMIRALL, S.A. (ES) | 2017-09-28 | — | — | US | disclosed |
| EP-3197879-A1 | NEW BICYCLIC DERIVATIVES HAVING BETA2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES | Almirall S.A. (ES) | 2017-08-02 | — | — | EP | disclosed |
| US-9518022-B2 | Anti-HIV compounds | PROSETTA ANTIVIRAL INC. (US) | 2016-12-13 | — | — | US | disclosed |
| WO-2016100391-A1 | 2-PHENETHENYLTETRAHYDRO ISOQUINOLINES USEFUL AS ANTI-HIV COMPOUNDS | Prosetta Antiviral, Inc. (US) | 2016-06-23 | — | — | WO | disclosed |
| US-20160168100-A1 | ANTI-HIV COMPOUNDS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2016-06-16 | — | — | US | disclosed |
| WO-2016046390-A1 | NEW BICYCLIC DERIVATIVES HAVING BETA2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES | ALMIRALL, S.A. (ES) | 2016-03-31 | — | — | WO | disclosed |
| US-20080214455-A1 | Novel Chemical Compounds | SMITHKLINE BEECHAM CORPORATION | 2008-09-04 | — | — | US | disclosed |
| US-5652247-A | VASOPRESSIN ANTAGONIST | OTSUKA PHARMACEUTICAL CO., LTD (JP) | 1997-07-29 | — | — | US | disclosed |
| US-5436254-A | Vaopressin antagonists | OTSUKA PHARMACEUTICAL COMPANY, LTD. (JP) | 1995-07-25 | — | — | US | disclosed |
| EP-0602209-A1 | OXYTOCIN ANTAGONIST | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1994-06-22 | — | — | EP | disclosed |
| EP-0382185-B1 | Carbostyril derivatives | OTSUKA PHARMA CO LTD (JP) | 1994-06-15 | — | — | EP | disclosed |
| WO-1994001113-A1 | OXYTOCIN ANTAGONIST | OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) | 1994-01-20 | — | — | WO | disclosed |
| US-5225402-A | Vasopressin antagonist, vasodilation, hypotensive, diuretics and anticoagulants | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1993-07-06 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20190111044-A1 | 2-PHENETHENYLTETRAHYDRO ISOQUINOLINES USEFUL AS ANTI-HIV COMPOUNDS | MAVS, EIF2AK2, POLRMT | CYP2A6 2788/4885CA12 4883/4885CA9 4878/4885 |
| US-20170275277-A1 | NEW BICYCLIC DERIVATIVES HAVING BETA2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES | ADRB2, CHRM2, CHRM3 | CYP2A6 1230/4885CA12 1786/4885CA9 3555/4885 |
| US-10195189-B2 | 2-phenethenyltetrahydro isoquinolines useful as anti-HIV compounds | MAVS, EIF2AK2, POLRMT | CYP2A6 2788/4885CA12 4883/4885CA9 4878/4885 |
| US-20160168100-A1 | ANTI-HIV COMPOUNDS | MAVS, SARS1, NFATC1 | CYP2A6 3138/4885CA12 4880/4885CA9 4871/4885 |
| US-20170368051-A1 | 2-PHENETHENYLTETRAHYDRO ISOQUINOLINES USEFUL AS ANTI-HIV COMPOUNDS | MAVS, EIF2AK2, POLRMT | CYP2A6 2788/4885CA12 4883/4885CA9 4878/4885 |
| US-20080214455-A1 | Novel Chemical Compounds | HIPK3, HIPK1, HIPK4 | CYP2A6 4743/4885CA12 4671/4885CA9 4616/4885 |
| US-10005771-B2 | Bicyclic derivatives having β2 adrenergic agonist and M3 muscarinic antagonist activities | ADRB2, CHRM3, CHRM2 | CYP2A6 851/4885CA12 2522/4885CA9 3722/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.