Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CSNK1E | P49674 | 1/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.37 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4557993 | 0.83 | CSNK1E (0.43) | CSNK1ECYP1A2CYP2C9CYP2C19 | |
| SCHEMBL28036434 | 0.80 | CSNK1E (0.48) | CSNK1ESIGMAR1 | |
| SCHEMBL21800790 | 0.80 | CSNK1E (0.48) | CSNK1ESIGMAR1 | |
| SCHEMBL11120190 | 0.80 | CSNK1E (0.48) | CSNK1ESIGMAR1 | |
| SCHEMBL7513002 | 0.80 | HTR2A (0.50) | HTR2A | |
| SCHEMBL24148832 | 0.79 | SIGMAR1 (0.40) | CSNK1ESIGMAR1HTR2A | |
| SCHEMBL15579942 | 0.77 | CSNK1E (0.68) | CSNK1ESIGMAR1 | |
| SCHEMBL3840317 | 0.77 | CSNK1E (0.68) | CSNK1ESIGMAR1 | |
| SCHEMBL543510 | 0.76 | ALDH1A1 (0.42) | CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL29289210 | 0.75 | HTR2A (0.41) | CSNK1ESIGMAR1HTR2A |
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 |