Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.35 |
| ▸ | GPR119 | Q8TDV5 | 3/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | CTSC | P53634 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | AR | P10275 | 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 | |
|---|---|---|---|---|
| SCHEMBL8830648 | 0.84 | GPR119 (0.45) | CYP3A4GPR119CYP2C19ALDH1A1MAPK1 | |
| SCHEMBL9442235 | 0.81 | NPC1 (0.43) | CYP2C19MEN1KMT2A | |
| SCHEMBL8830927 | 0.81 | CYP3A4 (0.35) | CYP3A4GPR119CYP2C19ALDH1A1MAPK1 | |
| SCHEMBL22211320 | 0.72 | TACR1 (0.42) | CYP3A4GPR119CYP2C19MEN1TSHR | |
| SCHEMBL21452021 | 0.72 | EGLN2 (0.35) | CYP3A4GPR119CYP2C19ALDH1A1MAPK1 | |
| SCHEMBL26679406 | 0.71 | TACR3 (0.57) | CYP3A4GPR119CYP2C19ALDH1A1CYP1A2 | |
| SCHEMBL8830792 | 0.71 | TACR1 (0.43) | GPR119ALDH1A1MAPK1HSD17B10MEN1 | |
| SCHEMBL9363274 | 0.69 | TACR1 (0.44) | ALDH1A1 | |
| SCHEMBL6460757 | 0.69 | KCNH2 (0.41) | TSHRCYP2D6USP2CTSCKCNH2 | |
| SCHEMBL22211319 | 0.69 | TACR1 (0.39) | CYP3A4GPR119CYP2C19ALDH1A1CYP2C9 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6864287-B1 | Derivatives of dicarboxylic acid having pharmaceutical properties | BAYER AKTIENGESELLSCHAFT (DE) | 2005-03-08 | — | — | US | disclosed |