Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | COMT | P21964 | 1/20 | 0.35 |
| ▸ | METAP2 | P50579 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.32 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.32 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.30 |
| ▸ | HTR2C | P28335 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL19964533 | 0.70 | ALDH1A1 (0.48) | ALDH1A1CYP19A1 | |
| SCHEMBL21251324 | 0.68 | — | — | |
| SCHEMBL19964712 | 0.66 | RPS6KB1 (0.34) | — | |
| SCHEMBL15950989 | 0.64 | COMT (0.60) | CYP1A2ALDH1A1MAPTCYP3A4CYP2D6 | |
| SCHEMBL21251319 | 0.64 | IRAK4 (0.42) | CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL21342369 | 0.64 | — | — | |
| SCHEMBL14463968 | 0.62 | — | — | |
| SCHEMBL30154242 | 0.61 | CYP1A2 (0.40) | CYP1A2ALDH1A1MAPTCYP3A4CYP2D6 | |
| SCHEMBL28144654 | 0.60 | COMT (0.43) | CYP1A2ALDH1A1MAPTCYP3A4CYP2D6 | |
| SCHEMBL7679714 | 0.60 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3524602-A1 | PYRIDO FIVE-ELEMENT AROMATIC RING COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF | Shanghai Haihe Pharmaceutical Co., Ltd. (CN) | 2019-08-14 | — | — | EP | disclosed |
| WO-2018045971-A1 | PYRIDO FIVE-ELEMENT AROMATIC RING COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF | 上海海和药物研究开发有限公司 | 2018-03-15 | — | — | WO | disclosed |