Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.74 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.64 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | MAOA | P21397 | 2/20 | 0.50 |
| ▸ | MAOB | P27338 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | ANPEP | P15144 | 3/20 | 0.44 |
| ▸ | DRD2 | P14416 | 3/20 | 0.41 |
| ▸ | DRD1 | P21728 | 3/20 | 0.41 |
| ▸ | DRD4 | P21917 | 3/20 | 0.41 |
| ▸ | DRD5 | P21918 | 3/20 | 0.41 |
| ▸ | DRD3 | P35462 | 3/20 | 0.41 |
| ▸ | CES1 | P23141 | 2/20 | 0.41 |
| ▸ | BCHE | P06276 | 1/20 | 0.41 |
| ▸ | MIF | P14174 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL12205504 | 0.95 | CYP2A6 (0.74) | CYP2A6CYP1A2TSHRMAOAMAOB | |
| SCHEMBL23188927 | 0.85 | TSHR (0.68) | CYP2A6CYP1A2TSHRMAOAMAOB | |
| SCHEMBL10847 | 0.85 | CYP2A6 (1.00) | CYP2A6CYP1A2TSHRMAOAMAOB | |
| SCHEMBL29411939 | 0.85 | CYP2A6 (1.00) | CYP2A6CYP1A2TSHRMAOAMAOB | |
| SCHEMBL29593812 | 0.85 | CYP2A6 (0.61) | CYP2A6CYP1A2TSHRMAOAMAOB | |
| SCHEMBL31687189 | 0.83 | CYP2A6 (0.62) | CYP2A6CYP1A2TSHRMAOAMAOB | |
| Hydrochloric Acid SCHEMBL29594230 | 0.83 | CYP2A6 (0.59) | CYP2A6CYP1A2TSHRMAOAMAOB | |
| SCHEMBL28148335 | 0.82 | TSHR (0.80) | CYP2A6TSHRMAOAMAOBMAPT | |
| Cyclohexanone SCHEMBL10804644 | 0.80 | TSHR (0.68) | CYP2A6CYP1A2TSHRMAOAMAOB | |
| SCHEMBL29366435 | 0.79 | CYP1A2 (1.00) | CYP2A6CYP1A2TSHRMAOAMAOB |
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 99 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3262058-A1 | A COMPOUND FOR PREPARING POLYPEPTIDES | Universität Wien (AT) | 2018-01-03 | — | — | EP | claimed |
| WO-2016135071-A1 | A COMPOUND FOR PREPARING POLYPEPTIDES | Universität Wien (AT) | 2016-09-01 | — | — | WO | claimed |
| EP-2805765-B1 | PROCESS FOR HYDROGENATING KETONES IN THE PRESENCE OF Ru (II) CATALYSTS | JOHNSON MATTHEY PLC (GB) | 2020-12-23 | — | — | EP | disclosed |
| CN-106466641-B | Process for hydrogenating ketones in the presence of Ru (II) catalysts | 约翰森·马瑟公开有限公司 | 2020-06-09 | — | — | CN | disclosed |
| US-10406514-B2 | Process for hydrogenating ketones in the presence of Ru(II) catalysts | JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) | 2019-09-10 | — | — | US | disclosed |
| US-20180290133-A1 | Process For Hydrogenating Ketones In The Presence Of RU(II) Catalysts | JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) | 2018-10-11 | — | — | US | disclosed |
| US-20180099981-A1 | COMPOUNDS, COMPOSITIONS AND METHODS | DENALI THERAPEUTICS INC. | 2018-04-12 | — | — | US | disclosed |
| US-9896458-B2 | Compounds, compositions and methods | DENALI THERAPEUTICS INC. (US) | 2018-02-20 | — | — | US | disclosed |
| US-20180022759-A1 | COMPOUNDS, COMPOSITIONS AND METHODS | DENALI THERAPEUTICS INC. | 2018-01-25 | — | — | US | disclosed |
| US-9815850-B2 | Compounds, compositions and methods | DENALI THERAPEUTICS INC. (US) | 2017-11-14 | — | — | US | disclosed |
| US-20170226127-A1 | COMPOUNDS, COMPOSITIONS AND METHODS | DENALI THERAPEUTICS INC. | 2017-08-10 | — | — | US | disclosed |
| US-5705511-A | ENZYME INHIBITORS, ANTIINFLAMMATORY, TROPHIC FACTOR, ANTICANCER CELL GROWTH | CEPHALON, INC. (US) | 1998-01-06 | — | — | US | disclosed |
| EP-0785938-A1 | FUSED PYRROLOCARBAZOLES | CEPHALON, INC. (US) | 1997-07-30 | — | — | EP | disclosed |
| WO-1997019929-A1 | POLYCYCLIC COMPOUNDS | THE UNIVERSITY OF STRATHCLYDE (GB) | 1997-06-05 | — | — | WO | disclosed |
| US-5594009-A | KINASE INHIBITORS, TROPHIC FACTOR-INDUCED ACTIVITY ENHANCEMENT, CELL SURVIVAL | CEPHALON, INC. (US) | 1997-01-14 | — | — | US | disclosed |
| US-5591855-A | KINASE INHIBITORS, TROPHIC FACTOR-INDUCED ACTIVITY ENHANCEMENT, CELL SURVIVAL | CEPHALON, INC. (US) | 1997-01-07 | — | — | US | disclosed |
| US-5475110-A | Treating nervous system disorders and inflammation, inhibiting protein and tyrosine kinases, inhibiting cell growth | CEPHALON, INC. (US) | 1995-12-12 | — | — | US | disclosed |
| US-5324733-A | Selective ligands at sigma recognition sites | MERCK SHARPE & DOHME LTD. | 1994-06-28 | — | — | US | disclosed |
| US-5219860-A | Neuroleptic agents | MERCK SHARP & DOHME LIMITED (GB) | 1993-06-15 | — | — | US | disclosed |
| EP-0445974-A2 | Spirocyclic antipsychotic agents | MERCK SHARP & DOHME LTD. (GB) | 1991-09-11 | — | — | EP | 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 (5 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-20180099981-A1 | COMPOUNDS, COMPOSITIONS AND METHODS | PIK3CA, PLK1, PIK3CB | CYP2A6 3318/4885CYP1A2 3682/4885TSHR 4584/4885 |
| US-10406514-B2 | Process for hydrogenating ketones in the presence of Ru(II) catalysts | H1-10, AKR1B10, KATNA1 | CYP2A6 385/4885CYP1A2 152/4885TSHR 1224/4885 |
| US-20180022759-A1 | COMPOUNDS, COMPOSITIONS AND METHODS | PIK3CA, PLK1, PIK3CB | CYP2A6 3318/4885CYP1A2 3682/4885TSHR 4584/4885 |
| US-20180290133-A1 | Process For Hydrogenating Ketones In The Presence Of RU(II) Catalysts | H1-10, AKR1B10, KATNA1 | CYP2A6 385/4885CYP1A2 152/4885TSHR 1224/4885 |
| US-20170226127-A1 | COMPOUNDS, COMPOSITIONS AND METHODS | PIK3CA, PLK1, PIK3CB | CYP2A6 3318/4885CYP1A2 3682/4885TSHR 4584/4885 |
“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.