Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | GSK3B | P49841 | 7/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | GSK3A | P49840 | 5/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.34 |
| ▸ | BACE1 | P56817 | 1/20 | 0.34 |
| ▸ | BACE2 | Q9Y5Z0 | 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 | |
|---|---|---|---|---|
| SCHEMBL8884367 | 0.84 | CYP1A2 (0.40) | CYP1A2CYP2C9ALDH1A1GSK3BMAPT | |
| SCHEMBL8786684 | 0.82 | CYP1A2 (0.39) | CYP1A2CYP2C9ALDH1A1GSK3BMAPT | |
| SCHEMBL8881151 | 0.80 | L3MBTL1 (0.41) | CYP1A2CYP2C9ALDH1A1GSK3BMAPT | |
| SCHEMBL8884435 | 0.76 | TDP1 (0.42) | CYP1A2MAPTTDP1KDM4ECYP2C19 | |
| SCHEMBL8881065 | 0.75 | CNR2 (0.33) | CYP1A2CYP2C9CNR2 | |
| SCHEMBL8880853 | 0.74 | CYP1A2 (0.31) | CYP1A2CYP2C9MAPT | |
| SCHEMBL8883329 | 0.74 | KMT2A (0.42) | CYP1A2CYP2C9ALDH1A1MAPTTDP1 | |
| SCHEMBL8786282 | 0.73 | CARM1 (0.33) | CYP1A2CYP2C9 | |
| SCHEMBL8779238 | 0.71 | CYP1A2 (0.36) | CYP1A2CYP2C9ALDH1A1GSK3BMAPT | |
| SCHEMBL8883715 | 0.70 | SMN1; SMN2 (0.37) | ALDH1A1TDP1KDM4EKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| JP-7228571-A | — | — | None | — | — | JP | disclosed |
| JP-H07228571-A | SUBSTITUTED HETEROCYCLIC CARBOXAMIDES, THEIR PRODUCTION AND THEIR USE AS PHARMACEUTICALS | HOECHST AG | 1995-08-29 | — | — | JP | disclosed |