Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C1 | Q04828 | 3/20 | 0.55 |
| ▸ | CA12 | O43570 | 2/20 | 0.47 |
| ▸ | CA1 | P00915 | 2/20 | 0.47 |
| ▸ | CA2 | P00918 | 2/20 | 0.47 |
| ▸ | CA9 | Q16790 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.46 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.43 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.43 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | CES2 | O00748 | 2/20 | 0.42 |
| ▸ | CES1 | P23141 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | DAO | P14920 | 1/20 | 0.42 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL164579 | 0.82 | AKR1C1 (0.59) | AKR1C1CA12CA1CA2CA9 | |
| SCHEMBL165294 | 0.82 | AKR1C1 (0.59) | AKR1C1CA12CA1CA2CA9 | |
| SCHEMBL164580 | 0.82 | AKR1C1 (0.59) | AKR1C1CA12CA1CA2CA9 | |
| SCHEMBL27489619 | 0.80 | NFE2L2 (0.61) | AKR1C1CA12CA1CA2CA9 | |
| SCHEMBL4793306 | 0.80 | CA12 (0.65) | AKR1C1CA12CA1CA2CA9 | |
| Hydrochloric Acid SCHEMBL3674640 | 0.80 | AKR1C1 (0.57) | AKR1C1CA12CA1CA2CA9 | |
| SCHEMBL4730610 | 0.80 | NFE2L2 (0.61) | AKR1C1CA12CA1CA2CA9 | |
| SCHEMBL9248787 | 0.78 | AKR1C1 (0.55) | AKR1C1CA12CA1CA2CA9 | |
| SCHEMBL8440602 | 0.78 | AKR1C1 (0.55) | AKR1C1CA12CA1CA2CA9 | |
| SCHEMBL5273972 | 0.78 | AKR1C1 (0.55) | AKR1C1CA12CA1CA2CA9 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0468470-B1 | Benzimidazoles, medicaments containing them and process for their preparation | THOMAE GMBH DR K (DE) | 1997-04-16 | — | — | EP | disclosed |
| EP-0502314-A1 | Benzimidazol, medicaments containing them and process for their preparation | Dr. Karl Thomae GmbH (DE) | 1992-09-09 | — | — | EP | disclosed |
| EP-0468470-A1 | Benzimidazoles, medicaments containing them and process for their preparation | Dr. Karl Thomae GmbH (DE) | 1992-01-29 | — | — | EP | disclosed |