Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Talnetant. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR3 known ✓ | P29371 | 20/20 | 0.98 |
| ▸ | TACR2 | P21452 | 6/20 | 0.98 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.98 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.98 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.98 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.98 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.98 |
| ▸ | TACR1 | P25103 | 1/20 | 0.98 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.98 |
| ▸ | MEN1 | O00255 | 1/20 | 0.78 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.78 |
| ▸ | TP53 | P04637 | 1/20 | 0.78 |
| ▸ | TSHR | P16473 | 1/20 | 0.78 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.78 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.78 |
| ▸ | BLM | P54132 | 1/20 | 0.78 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.78 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.78 |
| ▸ | ATM | Q13315 | 1/20 | 0.78 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.78 |
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 | |
|---|---|---|---|---|
| Talnetant SCHEMBL5154081 | 1.00 | TACR3 (0.98) | TACR3TACR2CYP1A2CYP3A4CYP2C9 | |
| Talnetant SCHEMBL29407582 | 1.00 | TACR3 (0.98) | TACR3TACR2CYP1A2CYP3A4CYP2C9 | |
| Talnetant SCHEMBL29390363 | 0.99 | TACR3 (1.00) | TACR3TACR2CYP1A2CYP3A4CYP2C9 | |
| Talnetant SCHEMBL29604291 | 0.99 | TACR3 (1.00) | TACR3TACR2CYP1A2CYP3A4CYP2C9 | |
| Talnetant SCHEMBL74220 | 0.99 | TACR3 (1.00) | TACR3TACR2CYP1A2CYP3A4CYP2C9 | |
| Talnetant SCHEMBL74221 | 0.99 | TACR3 (1.00) | TACR3TACR2CYP1A2CYP3A4CYP2C9 | |
| Talnetant SCHEMBL6449764 | 0.99 | TACR3 (1.00) | TACR3TACR2CYP1A2CYP3A4CYP2C9 | |
| Talnetant SCHEMBL5154084 | 0.97 | TACR3 (0.96) | TACR3TACR2CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL14094490 | 0.92 | TACR3 (0.88) | TACR3TACR2CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL14015177 | 0.91 | TACR3 (0.84) | TACR3TACR2CYP1A2CYP3A4CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1125815-C | Method for the synthesis of quinoline derivatives | SMITHKLINE BEECHAM CORP (US) | 2003-10-29 | — | — | CN | claimed |
| CN-1278796-A | Method for the synthesis of quinoline derivatives | SMITHKLINE BEECHAM CORP (US) | 2001-01-03 | — | — | CN | claimed |
| CN-1125815-C | Method for the synthesis of quinoline derivatives | SMITHKLINE BEECHAM CORP (US) | 2003-10-29 | — | — | CN | disclosed |
| CN-1278796-A | Method for the synthesis of quinoline derivatives | SMITHKLINE BEECHAM CORP (US) | 2001-01-03 | — | — | CN | disclosed |