Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR3 | P29371 | 19/20 | 0.53 |
| ▸ | TACR2 | P21452 | 6/20 | 0.53 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | TACR1 | P25103 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL27746562 | 0.92 | TACR3 (0.55) | TACR3TACR2OPRM1 | |
| SCHEMBL27725831 | 0.90 | TACR3 (0.51) | TACR3TACR2OPRM1CYP2C9 | |
| SCHEMBL27746592 | 0.86 | TACR3 (0.52) | TACR3TACR2OPRM1CYP2C9CYP1A2 | |
| SCHEMBL14610182 | 0.85 | TACR3 (0.58) | TACR3TACR2OPRM1CYP2C9CYP1A2 | |
| SCHEMBL28772002 | 0.84 | TACR3 (0.59) | TACR3TACR2OPRM1CYP2C9CYP1A2 | |
| SCHEMBL27739351 | 0.84 | TACR3 (0.59) | TACR3TACR2OPRM1CYP2C9CYP1A2 | |
| SCHEMBL27739459 | 0.84 | TACR3 (0.59) | TACR3TACR2 | |
| SCHEMBL4603265 | 0.84 | TACR3 (0.57) | TACR3TACR2OPRM1CYP2C9CYP1A2 | |
| SCHEMBL27725819 | 0.84 | TACR3 (0.52) | TACR3TACR2OPRM1 | |
| SCHEMBL14009520 | 0.83 | TACR3 (0.77) | TACR3TACR2OPRM1CYP2C9CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101282961-A | Alkylpyridyl quinolines as NK3 receptor modulators | ASTRAZENECA AB (SE) | 2008-10-08 | — | — | CN | claimed |
| CN-101282961-A | Alkylpyridyl quinolines as NK3 receptor modulators | ASTRAZENECA AB (SE) | 2008-10-08 | — | — | CN | disclosed |