Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.48 |
| ▸ | EGFR | P00533 | 1/20 | 0.47 |
| ▸ | KDR | P35968 | 1/20 | 0.47 |
| ▸ | MIF | P14174 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | DAO | P14920 | 1/20 | 0.46 |
| ▸ | IDO1 | P14902 | 2/20 | 0.45 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.44 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 1/20 | 0.44 |
| ▸ | HTR2C | P28335 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL2128638 | 0.86 | ALDH1A1 (0.50) | TAAR1NR3C2ALDH1A1HTTTDP1 | |
| SCHEMBL30047602 | 0.86 | ALDH1A1 (0.50) | TAAR1NR3C2ALDH1A1HTTTDP1 | |
| SCHEMBL625442 | 0.82 | MAPT (0.58) | TAAR1CYP1A2CYP2D6NR3C2ALDH1A1 | |
| SCHEMBL13610389 | 0.79 | ALDH1A1 (0.47) | TAAR1ALDH1A1HTTTDP1KDM4E | |
| SCHEMBL8308315 | 0.77 | TAAR1 (0.61) | TAAR1NR3C2KDRMIFDAO | |
| Hydrochloric Acid SCHEMBL11447923 | 0.77 | L3MBTL1 (0.52) | ALDH1A1HTTTDP1CACNA1BKDM4E | |
| SCHEMBL223971 | 0.76 | TAAR1 (0.51) | TAAR1NR3C2MIFDAOIDO1 | |
| SCHEMBL15921447 | 0.76 | CYP2D6 (0.67) | TAAR1CYP1A2CYP2D6NR3C2ALDH1A1 | |
| SCHEMBL28935942 | 0.76 | KDM4E (0.56) | TAAR1CYP1A2CYP2D6ALDH1A1HTT | |
| SCHEMBL27427765 | 0.76 | MAOA (0.61) | CYP1A2CYP2D6HTTKDM4EMAPT |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2603490-A1 | NOVEL TRPV3 MODULATORS | AbbVie Inc. (US) | 2013-06-19 | — | — | EP | claimed |
| WO-2012019315-A1 | NOVEL TRPV3 MODULATORS | ABBOTT LABORATORIES (US) | 2012-02-16 | — | — | WO | claimed |
| EP-2771322-A2 | NOVEL TRPV3 MODULATORS | AbbVie Inc. (US) | 2014-09-03 | — | — | EP | disclosed |
| EP-2603490-A1 | NOVEL TRPV3 MODULATORS | AbbVie Inc. (US) | 2013-06-19 | — | — | EP | disclosed |
| WO-2013062964-A2 | NOVEL TRPV3 MODULATORS | ABBVIE INC. (US) | 2013-05-02 | — | — | WO | disclosed |
| WO-2012019315-A1 | NOVEL TRPV3 MODULATORS | ABBOTT LABORATORIES (US) | 2012-02-16 | — | — | WO | disclosed |