Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALM1 | P0DP23 | 1/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.41 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.35 |
| ▸ | DRD4 | P21917 | 2/20 | 0.35 |
| ▸ | DRD3 | P35462 | 2/20 | 0.35 |
| ▸ | CTRC | Q99895 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 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 | |
|---|---|---|---|---|
| SCHEMBL28952278 | 0.77 | CYP1A2 (0.46) | CALM1TAAR1LTB4RCYP1A2CYP3A4 | |
| SCHEMBL27832719 | 0.75 | CALM1 (0.44) | CALM1TAAR1LTB4RCYP1A2CYP3A4 | |
| SCHEMBL29105108 | 0.75 | BCL2 (0.47) | CALM1TAAR1LTB4RCYP1A2CYP3A4 | |
| SCHEMBL11482476 | 0.75 | LTB4R (0.47) | CALM1TAAR1LTB4RCYP1A2CYP3A4 | |
| SCHEMBL31199125 | 0.75 | CALM1 (0.44) | CALM1TAAR1LTB4RCYP1A2CYP3A4 | |
| SCHEMBL27548252 | 0.75 | TAAR1 (0.46) | CALM1TAAR1LTB4RCYP1A2CYP3A4 | |
| SCHEMBL27340551 | 0.73 | MAPT (0.43) | CALM1TAAR1LTB4RCYP1A2CYP3A4 | |
| SCHEMBL11450705 | 0.72 | TRPA1 (0.43) | CALM1TAAR1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL27851103 | 0.71 | KDM4E (0.40) | CALM1TAAR1LTB4RCYP2D6CYP2C9 | |
| SCHEMBL30781500 | 0.69 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102276612-B | C-2 substituted Aldisin derivative and medicinal salt thereof, their pharmaceutical composition, and application in preparation of antitumor drug thereof | UNIV ZHONGSHAN | 2013-08-28 | — | — | CN | disclosed |
| CN-102321102-A | N2,N4-disubstituted-2H,4H-pyrrole[1,2-b][1,2,4,6] thiatriazine-1,1,3-triketone derivatives as well as preparation and application thereof | UNIV SHANDONG | 2012-01-18 | — | — | CN | disclosed |
| CN-102276612-A | C-2 substituted Aldisin derivative and medicinal salt thereof, their pharmaceutical composition, and application in preparation of antitumor drug thereof | UNIV SUN YAT SEN | 2011-12-14 | — | — | CN | disclosed |