Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | DHPS | P49366 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 7/20 | 0.41 |
| ▸ | CDK1 | P06493 | 2/20 | 0.41 |
| ▸ | DRD4 | P21917 | 2/20 | 0.40 |
| ▸ | DRD3 | P35462 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.40 |
| ▸ | DRD1 | P21728 | 1/20 | 0.40 |
| ▸ | DRD5 | P21918 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL11700793 | 0.82 | DRD2 (0.52) | DHPSDRD2CDK1DRD4DRD3 | |
| SCHEMBL11701831 | 0.79 | DRD2 (0.51) | DHPSDRD2CDK1DRD4DRD3 | |
| SCHEMBL22493797 | 0.75 | NOTUM (0.41) | ALDH1A1KDM4ELMNACYP2C9GSTP1 | |
| SCHEMBL9833960 | 0.74 | DRD2 (0.46) | DHPSDRD2CDK1DRD4DRD3 | |
| SCHEMBL24799999 | 0.73 | GSTP1 (0.36) | ALDH1A1HPGDKDM4ECYP3A4CYP2D6 | |
| SCHEMBL11700115 | 0.72 | DRD2 (0.50) | DRD2CDK1DRD4DRD3KDM4E | |
| SCHEMBL5362141 | 0.72 | CCNB2 (0.48) | DHPSDRD2CDK1LMNACCNB2 | |
| SCHEMBL10588609 | 0.71 | LMNA (0.47) | ALDH1A1HPGDKDM4ELMNAMAPK1 | |
| SCHEMBL2116085 | 0.71 | CYP1A2 (0.54) | ALDH1A1HPGDKDM4ELMNAMAPK1 | |
| SCHEMBL11701011 | 0.70 | KDM4E (0.46) | ALDH1A1HPGDDRD2CDK1DRD4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3464272-B1 | NOVEL HETEROCYCLIC DERIVATIVES USEFUL AS SHP2 INHIBITORS | JACOBIO PHARMACEUTICALS CO LTD (CN) | 2021-12-08 | — | — | EP | disclosed |
| WO-2017211303-A1 | NOVEL HETEROCYCLIC DERIVATIVES USEFUL AS SHP2 INHIBITORS | JACOBIO PHARMACEUTICALS CO., LTD. (CN) | 2017-12-14 | — | — | WO | disclosed |