Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 4/20 | 0.44 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.36 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.34 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.34 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.34 |
| ▸ | CDK8 | P49336 | 1/20 | 0.34 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.34 |
| ▸ | PFKFB3 | Q16875 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL24908252 | 0.75 | NOTUM (0.43) | ARNOTUMCYP11B2CYP1A2ERCC1 | |
| SCHEMBL16407110 | 0.69 | ALDH1A1 (0.41) | NOTUMCYP11B2CYP1A2ALDH1A1ERCC1 | |
| SCHEMBL29855932 | 0.68 | HDAC4 (0.49) | NOTUMCYP11B2PTGER3ERCC1ERCC4 | |
| SCHEMBL25702594 | 0.68 | MAOB (0.51) | CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6 | |
| SCHEMBL30438880 | 0.68 | MAOB (0.51) | CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6 | |
| SCHEMBL11586993 | 0.66 | AR (0.49) | ARCYP1A2CYP2E1CYP3A4CYP2C8 | |
| SCHEMBL21309298 | 0.66 | HTR2A (0.35) | NOTUMCYP11B2ERCC1ERCC4PDE1C | |
| SCHEMBL20883607 | 0.65 | AR (0.47) | ARCYP11B2CYP1A2ALDH1A1PDE1C | |
| SCHEMBL425168 | 0.65 | KMO (0.57) | NOTUMCYP11B2CYP1A2ERCC1ERCC4 | |
| SCHEMBL29901474 | 0.65 | KMO (0.57) | NOTUMCYP11B2CYP1A2ERCC1ERCC4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3180344-B1 | PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES USEFUL FOR INHIBITING JANUS KINASE | PFIZER (US) | 2019-09-18 | — | — | EP | disclosed |