Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.48 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.48 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 4/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.45 |
| ▸ | PPARG | P37231 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CFTR | P13569 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL22358672 | 0.89 | LMNA (0.47) | ALDH1A1CYP1A2CYP2C19SMN1; SMN2TSHR | |
| SCHEMBL2655007 | 0.85 | PPARG (0.56) | ALDH1A1PRSS1PRSS2PRSS3CYP1A2 | |
| SCHEMBL451074 | 0.85 | ALDH1A1 (0.68) | ALDH1A1PRSS1PRSS2PRSS3SMN1; SMN2 | |
| SCHEMBL29148911 | 0.84 | PRSS1 (0.50) | ALDH1A1PRSS1PRSS2PRSS3CYP1A2 | |
| SCHEMBL30768203 | 0.84 | PRSS1 (0.47) | ALDH1A1PRSS1PRSS2PRSS3CYP1A2 | |
| SCHEMBL6680659 | 0.83 | ALDH1A1 (0.57) | ALDH1A1PRSS1PRSS2PRSS3TSHR | |
| SCHEMBL29139948 | 0.83 | PRSS1 (0.52) | ALDH1A1PRSS1PRSS2PRSS3CYP1A2 | |
| SCHEMBL28532492 | 0.83 | PRSS1 (0.52) | ALDH1A1PRSS1PRSS2PRSS3CYP1A2 | |
| SCHEMBL10499230 | 0.83 | PRSS1 (0.49) | ALDH1A1PRSS1PRSS2PRSS3CYP1A2 | |
| SCHEMBL1786603 | 0.83 | TSHR (0.52) | ALDH1A1TSHRLMNAKMT2ACA2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117683029-A | Bcl-2 inhibitors | 百济神州有限公司 | 2024-03-12 | — | — | CN | disclosed |
| CN-117430601-A | Bcl-2 inhibitors | 百济神州有限公司 | 2024-01-23 | — | — | CN | disclosed |
| CN-112437772-B | Bcl-2 inhibitors | 百济神州有限公司 | 2023-11-21 | — | — | CN | disclosed |
| CN-115335378-A | Monoacylglycerol lipase modulators | 詹森药业有限公司 | 2022-11-11 | — | — | CN | disclosed |