Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 8/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.35 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.35 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.35 |
| ▸ | DAO | P14920 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL19231294 | 0.81 | CYP11B1 (0.44) | PARP1ALDH1A1USP2CYP1A2CYP3A4 | |
| SCHEMBL29489040 | 0.77 | CYP11B1 (0.48) | ALDH1A1USP2LMNACYP1A2CYP3A4 | |
| SCHEMBL14313795 | 0.77 | CYP11B1 (0.48) | ALDH1A1USP2LMNACYP1A2CYP3A4 | |
| SCHEMBL21202580 | 0.77 | GRIN2B (0.37) | PARP1ALDH1A1USP2LMNACYP1A2 | |
| SCHEMBL2799084 | 0.74 | ALDH1A1 (0.40) | ALDH1A1USP2LMNACYP1A2CYP3A4 | |
| SCHEMBL3859045 | 0.73 | ALDH1A1 (0.39) | ALDH1A1USP2LMNACYP1A2CYP3A4 | |
| SCHEMBL15850934 | 0.72 | ALDH1A1 (0.39) | ALDH1A1USP2LMNACYP1A2CYP3A4 | |
| SCHEMBL19706890 | 0.72 | OPRM1 (0.48) | ALDH1A1KDM4ECYP11B1CYP11B2 | |
| SCHEMBL19212760 | 0.71 | GRIN2B (0.47) | ALDH1A1USP2LMNACYP1A2CYP3A4 | |
| SCHEMBL18544279 | 0.71 | HPGD (0.42) | ALDH1A1LMNATSHRPDE3BPDE3A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017029602-A2 | COMPOUNDS FOR USE IN ANTIBACTERIAL APPLICATIONS | GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) | 2017-02-23 | — | — | WO | disclosed |