Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KRAS | P01116 | 1/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.33 |
| ▸ | S100B | P04271 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.30 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.30 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8945876 | 0.81 | ALOX5 (0.35) | ALOX5SLC6A2SLC6A4SLC6A3CYP3A4 | |
| SCHEMBL9425401 | 0.80 | MAPT (0.30) | ALOX5 | |
| SCHEMBL8946066 | 0.70 | ALOX5 (0.33) | ALOX5 | |
| SCHEMBL8945857 | 0.69 | ALDH1A1 (0.32) | ALOX5ALDH1A1 | |
| SCHEMBL8945773 | 0.68 | CXCR1 (0.33) | ALOX5ALDH1A1 | |
| SCHEMBL8945840 | 0.68 | ALOX5 (0.35) | ALOX5ALDH1A1 | |
| SCHEMBL8946090 | 0.68 | ALOX5 (0.39) | ALOX5ALDH1A1 | |
| SCHEMBL10409265 | 0.67 | KDM4E (0.37) | SLC6A2SLC6A4SLC6A3ALDH1A1 | |
| SCHEMBL8946088 | 0.67 | ALOX5 (0.41) | ALOX5ALDH1A1 | |
| SCHEMBL8945834 | 0.67 | MAPT (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5292760-A | 4-heteroaryl-1,3-benzodiazepines and 2-substituted-α-(heteroaryl)benzeneethanamines | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1994-03-08 | — | — | US | claimed |
| US-5510346-A | ANTIDEPRESSANTS, ANTIANXIETY AGENTS | HOECHST MARION ROUSSEL, INC. (US) | 1996-04-23 | — | — | US | disclosed |
| US-5292760-A | 4-heteroaryl-1,3-benzodiazepines and 2-substituted-α-(heteroaryl)benzeneethanamines | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1994-03-08 | — | — | US | disclosed |