Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 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 | |
|---|---|---|---|---|
| SCHEMBL28414359 | 0.80 | DPP4 (0.58) | DPP4MAPTSLC6A3TP53ALOX5 | |
| SCHEMBL14455234 | 0.79 | DPP4 (0.56) | DPP4CYP3A4CYP2D6SLC6A2SLC6A4 | |
| SCHEMBL2866367 | 0.79 | DPP4 (0.56) | DPP4CYP3A4CYP2D6SLC6A2SLC6A4 | |
| SCHEMBL24017032 | 0.79 | ALOX5 (0.40) | HTTMAPTCYP3A4CYP2D6SLC6A2 | |
| SCHEMBL24017099 | 0.79 | ALOX5 (0.40) | HTTMAPTCYP3A4CYP2D6SLC6A2 | |
| SCHEMBL10588478 | 0.76 | DPP4 (0.39) | DPP4ALOX5 | |
| SCHEMBL8945895 | 0.75 | IDO1 (0.46) | DPP4CYP3A4CYP2D6SLC6A2SLC6A4 | |
| SCHEMBL9425803 | 0.74 | CYP3A4 (0.62) | DPP4HTTMAPTCYP3A4CYP2D6 | |
| SCHEMBL4001740 | 0.74 | MAPT (0.46) | DPP4HTTMAPTSLC6A3TP53 | |
| SCHEMBL3645137 | 0.74 | MAPT (0.46) | DPP4HTTMAPTSLC6A3TP53 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |