Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.48 |
| ▸ | THRB | P10828 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.45 |
| ▸ | SRR | Q9GZT4 | 1/20 | 0.44 |
| ▸ | ALPI | P09923 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.44 |
| ▸ | XIAP | P98170 | 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 | |
|---|---|---|---|---|
| SCHEMBL517463 | 0.83 | ALDH1A1 (0.60) | HPGDCYP3A4NPC1RAB9ATSHR | |
| SCHEMBL17761604 | 0.83 | ALDH1A1 (0.60) | HPGDCYP3A4NPC1RAB9ATSHR | |
| SCHEMBL2600694 | 0.83 | ALDH1A1 (0.60) | HPGDCYP3A4NPC1RAB9ATSHR | |
| SCHEMBL6869592 | 0.82 | HPGD (0.49) | HPGDCYP3A4NPC1RAB9ATSHR | |
| SCHEMBL265176 | 0.81 | ALDH1A1 (0.58) | HPGDCYP3A4NPC1RAB9ATSHR | |
| SCHEMBL27583798 | 0.81 | HPGD (0.51) | HPGDCYP3A4NPC1RAB9ATSHR | |
| SCHEMBL12764099 | 0.81 | ALDH1A1 (0.58) | HPGDCYP3A4NPC1RAB9ATSHR | |
| SCHEMBL265561 | 0.81 | ALDH1A1 (0.58) | HPGDCYP3A4NPC1RAB9ATSHR | |
| Ammonia Solution, Strong SCHEMBL9995407 | 0.81 | ALDH1A1 (0.59) | HPGDCYP3A4NPC1RAB9ATSHR | |
| SCHEMBL28239392 | 0.81 | SRR (0.53) | HPGDCYP3A4NPC1RAB9ATSHR |
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 |
|---|---|---|---|---|---|---|---|
| CN-109761986-A | Three simultaneously ring analog derivative inhibitor, preparation method and applications | 上海翰森生物医药科技有限公司 | 2019-05-17 | — | — | CN | disclosed |