Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | SORT1 | Q99523 | 1/20 | 0.43 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.42 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.42 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.42 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.42 |
| ▸ | DHODH | Q02127 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL18124622 | 0.82 | KDR (0.49) | KDRALDH1A1SORT1HCAR2TSHR | |
| SCHEMBL3220148 | 0.82 | KDR (0.46) | KDRALDH1A1CASP1GAAPLAU | |
| SCHEMBL1505655 | 0.79 | KDM4E (0.45) | ALDH1A1SORT1HCAR2AKR1C4AKR1C3 | |
| SCHEMBL915781 | 0.79 | SMN1; SMN2 (0.48) | ALDH1A1TP53SORT1HCAR2CA1 | |
| SCHEMBL29378297 | 0.79 | SMN1; SMN2 (0.48) | ALDH1A1TP53SORT1HCAR2CA1 | |
| SCHEMBL19682934 | 0.78 | KDR (0.49) | KDRALDH1A1LMNAKDM4E | |
| SCHEMBL27836576 | 0.78 | KDR (0.43) | KDRALDH1A1CYP3A4SMN1; SMN2HPGD | |
| SCHEMBL9684853 | 0.78 | ALDH1A1 (0.45) | ALDH1A1TP53SORT1HCAR2CA1 | |
| Hydrochloric Acid SCHEMBL6988496 | 0.78 | SMN1; SMN2 (0.47) | ALDH1A1TP53SORT1HCAR2CA1 | |
| SCHEMBL329752 | 0.78 | CA1 (0.48) | ALDH1A1TP53SORT1HCAR2CA1 |
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 |
| EP-3661928-B1 | N-[(PYRIMIDINYLAMINO)PROPANYL]-, N-[(PYRIDYLAMINO)PROPANYL]- AND N-[(PYRAZINYLAMINO)PROPANYL]ARYLCARBOXAMIDES | BOEHRINGER INGELHEIM INT (DE) | 2021-06-16 | — | — | EP | disclosed |
| WO-2019025275-A1 | NOVEL N-[(PYRIMIDINYLAMINO)PROPANYL]-, N-[(PYRIDYLAMINO)PROPANYL] - AND N-[(PYRAZINYLAMINO)PROPANYL]ARYLCARBOXAMIDES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2019-02-07 | — | — | WO | disclosed |