Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.53 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.53 |
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | NOS3 | P29474 | 1/20 | 0.37 |
| ▸ | NOS1 | P29475 | 1/20 | 0.37 |
| ▸ | NOS2 | P35228 | 1/20 | 0.37 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.37 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.37 |
| ▸ | CCR1 | P32246 | 1/20 | 0.36 |
| ▸ | CCR5 | P51681 | 1/20 | 0.36 |
| ▸ | CCR8 | P51685 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | CDK2 | P24941 | 1/20 | 0.35 |
| ▸ | AKT1 | P31749 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL18899968 | 0.92 | CYP1A2 (0.53) | CYP1A2CYP2A6NPC1RAB9ANOS3 | |
| SCHEMBL10093231 | 0.83 | CYP1A2 (0.52) | CYP1A2CYP2A6NPC1RAB9ACCR1 | |
| SCHEMBL16880549 | 0.83 | CYP1A2 (0.52) | CYP1A2CYP2A6CCR1CCR5CCR8 | |
| SCHEMBL17253659 | 0.80 | ABL1 (0.49) | CYP1A2CYP2A6PDE10ASMN1; SMN2CDK2 | |
| SCHEMBL9883137 | 0.79 | CYP1A2 (0.47) | CYP1A2CYP2A6NPC1RAB9ANOS3 | |
| SCHEMBL19843833 | 0.79 | CYP1A2 (0.47) | CYP1A2CYP2A6NPC1RAB9ANOS3 | |
| SCHEMBL12064450 | 0.79 | NOS3 (0.53) | CYP1A2CYP2A6NPC1RAB9ANOS3 | |
| SCHEMBL12727819 | 0.77 | CYP1A2 (0.44) | CYP1A2CYP2A6NOS3NOS1NOS2 | |
| SCHEMBL25917114 | 0.77 | CYP1A2 (0.44) | CYP1A2CYP2A6NPC1RAB9ANOS3 | |
| SCHEMBL14084760 | 0.77 | CYP1A2 (0.48) | CYP1A2CYP2A6NPC1RAB9ANOS3 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10266515-B2 | Therapeutic inhibitory compounds | LIFESCI PHARMACEUTICALS, INC. (BB) | 2019-04-23 | — | — | US | disclosed |
| EP-2861601-B1 | MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES | GILEAD SCIENCES INC (US) | 2018-02-07 | — | — | EP | disclosed |
| EP-2861604-B1 | MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES | GILEAD SCIENCES INC (US) | 2017-03-01 | — | — | EP | disclosed |
| EP-2649076-B1 | MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES | GILEAD SCIENCES INC (US) | 2015-03-04 | — | — | EP | disclosed |
| US-8394826-B2 | Dual mechanism inhibitors for the treatment of disease | AERIE PHARMACEUTICALS, INC. (US) | 2013-03-12 | — | — | US | disclosed |
| US-20120135984-A1 | DUAL-ACTION INHBITORS AND METHODS OF USING SAME | AERIE PHARMACEUTICALS, INC. | 2012-05-31 | — | — | US | disclosed |
| US-20120071461-A1 | Substituted Benzamide Compounds | GRUENENTHAL GMBH (DE) | 2012-03-22 | — | — | US | disclosed |
| US-20100280011-A1 | DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE | ALCON INC. (CH) | 2010-11-04 | — | — | US | disclosed |
| US-20080221093-A1 | Metalloprotease inhibitors containing a heterocyclic moiety | ALANTOS PHARMACEUTICALS HOLDING, INC. | 2008-09-11 | — | — | 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 (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-20080221093-A1 | Metalloprotease inhibitors containing a heterocyclic moiety | MMP12, MMP13, MMP25 | CYP1A2 415/4885CYP2A6 569/4885NPC1 2740/4885 |
| US-20120135984-A1 | DUAL-ACTION INHBITORS AND METHODS OF USING SAME | SLC6A2, ROCK2, SLC6A4 | CYP1A2 1088/4885CYP2A6 2518/4885NPC1 231/4885 |
| US-10266515-B2 | Therapeutic inhibitory compounds | KLKB1, SERPINB1, SERPINE1 | CYP1A2 3187/4885CYP2A6 3683/4885NPC1 959/4885 |
| US-20100280011-A1 | DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE | RHOA, SLC6A2, ROCK2 | CYP1A2 1339/4885CYP2A6 2488/4885NPC1 522/4885 |
| US-20120071461-A1 | Substituted Benzamide Compounds | BDKRB1, BDKRB2, HRH2 | CYP1A2 1988/4885CYP2A6 1768/4885NPC1 2033/4885 |
“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.