Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | QDPR | P09417 | 1/20 | 0.43 |
| ▸ | TBK1 | Q9UHD2 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 4/20 | 0.40 |
| ▸ | MAPT | P10636 | 4/20 | 0.40 |
| ▸ | BCHE | P06276 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 4/20 | 0.39 |
| ▸ | HTR6 | P50406 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.37 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.37 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11337723 | 0.99 | CYP1A2 (0.50) | CYP1A2CYP3A4CYP2C19QDPRTBK1 | |
| SCHEMBL11334573 | 0.81 | CYP1A2 (0.49) | CYP1A2CYP3A4CYP2C19QDPRTP53 | |
| SCHEMBL11334570 | 0.78 | CYP1A2 (0.49) | CYP1A2CYP3A4CYP2C19TP53MAPT | |
| SCHEMBL11338664 | 0.78 | IKBKE (0.48) | CYP1A2CYP3A4CYP2C19TBK1TP53 | |
| SCHEMBL11332265 | 0.77 | CYP1A2 (0.51) | CYP1A2CYP3A4CYP2C19TP53MAPT | |
| SCHEMBL11336420 | 0.77 | CYP1A2 (0.45) | CYP1A2CYP3A4CYP2C19TP53MAPT | |
| SCHEMBL11335477 | 0.76 | TSHR (0.43) | TP53MAPTBCHEACHEHTR2C | |
| SCHEMBL11334553 | 0.75 | CYP1A2 (0.43) | CYP1A2CYP3A4CYP2C19TP53MAPT | |
| SCHEMBL11348751 | 0.74 | ACHE (0.51) | CYP1A2CYP3A4CYP2C19MAPTBCHE | |
| SCHEMBL11334556 | 0.74 | HTR2C (0.47) | QDPRTBK1HTR2CSLC18A3SIGMAR1 |
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 4 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 |
| EP-0006524-A1 | Tetrahydropyridine and tetrahydropiperidine derivatives, their acid addition salts, processes for their preparation and pharmaceutical compositions containing them | CIBA-GEIGY AG (CH) | 1980-01-09 | — | — | EP | 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 |
| EP-0006524-A1 | Tetrahydropyridine and tetrahydropiperidine derivatives, their acid addition salts, processes for their preparation and pharmaceutical compositions containing them | CIBA-GEIGY AG (CH) | 1980-01-09 | — | — | EP | disclosed |