Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.65 |
| ▸ | HPGD | P15428 | 5/20 | 0.65 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.65 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.65 |
| ▸ | MAPT | P10636 | 5/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.53 |
| ▸ | MEN1 | O00255 | 3/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.53 |
| ▸ | GAA | P10253 | 3/20 | 0.53 |
| ▸ | THRB | P10828 | 2/20 | 0.53 |
| ▸ | RECQL | P46063 | 1/20 | 0.53 |
| ▸ | BLM | P54132 | 1/20 | 0.53 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 2/20 | 0.52 |
| ▸ | NPC1 | O15118 | 2/20 | 0.52 |
| ▸ | MAOB | P27338 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL312677 | 1.00 | ALDH1A1 (0.65) | ALDH1A1HPGDCYP3A4MAPK1MAPT | |
| Hydrochloric Acid SCHEMBL30735974 | 0.98 | ALDH1A1 (0.62) | ALDH1A1HPGDCYP3A4MAPK1MAPT | |
| Hydrochloric Acid SCHEMBL354001 | 0.98 | ALDH1A1 (0.62) | ALDH1A1HPGDCYP3A4MAPK1MAPT | |
| SCHEMBL9929149 | 0.86 | NPC1 (0.63) | ALDH1A1HPGDCYP3A4MAPK1MAPT | |
| SCHEMBL148855 | 0.85 | ALDH1A1 (0.53) | ALDH1A1HPGDCYP3A4MAPK1MAPT | |
| SCHEMBL147211 | 0.85 | SMN1; SMN2 (0.54) | ALDH1A1HPGDCYP3A4MAPK1MAPT | |
| SCHEMBL29923727 | 0.85 | ALDH1A1 (0.59) | ALDH1A1HPGDCYP3A4MAPK1MAPT | |
| SCHEMBL632502 | 0.85 | ALDH1A1 (0.59) | ALDH1A1HPGDCYP3A4MAPK1MAPT | |
| Hydrochloric Acid SCHEMBL30735953 | 0.83 | ALDH1A1 (0.58) | ALDH1A1HPGDCYP3A4MAPK1MAPT | |
| SCHEMBL858839 | 0.83 | ALDH1A1 (0.66) | ALDH1A1HPGDCYP3A4MAPK1MAPT |
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-118324761-A | USP inhibitor, preparation method and application thereof | 北京华森英诺生物科技有限公司 | 2024-07-12 | — | — | CN | disclosed |
| WO-2024003535-A2 | COMPOUNDS | UNIVERSITY OF DUNDEE (GB) | 2024-01-04 | — | — | WO | disclosed |
| CN-115403558-A | Aromatic heterocyclic compound with antitumor activity and preparation method and application thereof | 河南真实生物科技有限公司 | 2022-11-29 | — | — | CN | disclosed |