Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIN1 | Q13526 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.39 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.39 |
| ▸ | IP6K1 | Q92551 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | MAOA | P21397 | 2/20 | 0.38 |
| ▸ | MAOB | P27338 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | NMT1 | P30419 | 2/20 | 0.37 |
| ▸ | NMT2 | O60551 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL29172293 | 1.00 | PIN1 (0.43) | PIN1CYP3A4ALOX5ALDH1A1PDGFRB | |
| SCHEMBL25947637 | 0.83 | PIN1 (0.44) | PIN1CYP3A4ALOX5PDGFRBPDGFRA | |
| Phosphine SCHEMBL25950907 | 0.80 | PIN1 (0.41) | PIN1CYP3A4ALOX5ALDH1A1PDGFRB | |
| SCHEMBL30183986 | 0.79 | KDM4E (0.37) | PIN1ALDH1A1MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL29172306 | 0.79 | KDM4E (0.37) | PIN1ALDH1A1MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL30875693 | 0.79 | ALK (0.47) | ALDH1A1 | |
| SCHEMBL29172292 | 0.79 | ALK (0.47) | ALDH1A1 | |
| SCHEMBL30875696 | 0.79 | PIN1 (0.44) | PIN1ALDH1A1 | |
| SCHEMBL18812797 | 0.79 | PIN1 (0.44) | PIN1ALDH1A1 | |
| SCHEMBL25338974 | 0.70 | ALK (0.46) | — |
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-117730083-A | Pyrimidine compounds as MAP4K1 inhibitors | 格兰马克专业公司 | 2024-03-19 | — | — | CN | disclosed |