Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 12/20 | 0.41 |
| ▸ | MAOA | P21397 | 5/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | P2RY14 | Q15391 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | BCHE | P06276 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL11336420 | 0.83 | CYP1A2 (0.45) | CYP1A2CYP3A4CYP2C19DRD2KMT2A | |
| SCHEMBL11334553 | 0.81 | CYP1A2 (0.43) | CYP1A2CYP3A4CYP2C19MAOADRD2 | |
| SCHEMBL11348751 | 0.81 | ACHE (0.51) | CYP1A2CYP3A4CYP2C19MAOBDRD2 | |
| SCHEMBL11334573 | 0.80 | CYP1A2 (0.49) | CYP1A2CYP3A4CYP2C19MAOAKMT2A | |
| SCHEMBL11335029 | 0.79 | MAOB (0.45) | MAOBMAOAP2RY14 | |
| SCHEMBL11338664 | 0.77 | IKBKE (0.48) | CYP1A2CYP3A4CYP2C19MAOAKMT2A | |
| SCHEMBL11333251 | 0.75 | MAOB (0.37) | MAOBMAOADRD2 | |
| SCHEMBL11329934 | 0.75 | CYP1A2 (0.51) | CYP1A2CYP3A4CYP2C19MAOAKMT2A | |
| SCHEMBL10901484 | 0.74 | S1PR1 (0.44) | MAOBMAOADRD2P2RY14BCHE | |
| Hydrochloric Acid SCHEMBL11337723 | 0.74 | CYP1A2 (0.50) | CYP1A2CYP3A4CYP2C19MAOAKMT2A |
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-4259338-A | Benzofuranyl-tetrahydropyridines and -piperidines, their acid addition salts and antidepressant preparations thereof | CIBA-GEIGY CORPORATION (US) | 1981-03-31 | — | — | US | claimed |
| US-4259338-A | Benzofuranyl-tetrahydropyridines and -piperidines, their acid addition salts and antidepressant preparations thereof | CIBA-GEIGY CORPORATION (US) | 1981-03-31 | — | — | US | disclosed |