Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | GPR84 | Q9NQS5 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 5/20 | 0.40 |
| ▸ | CYP1A1 | P04798 | 4/20 | 0.40 |
| ▸ | CYP1B1 | Q16678 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | PRKDC | P78527 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | PDE5A | O76074 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL7378712 | 0.94 | ABCG2 (0.46) | ABCG2HPGDCYP1A1CYP1B1ALDH1A1 | |
| SCHEMBL8945506 | 0.82 | NQO1 (0.53) | MAOBALDH1A1KDM4ECYP1A2CYP3A4 | |
| SCHEMBL7389073 | 0.76 | ABCG2 (0.50) | ABCG2HPGDCYP1A1CYP1B1ALDH1A1 | |
| SCHEMBL8923424 | 0.69 | KDM4E (0.69) | MAOBGPR84HPGDALDH1A1KDM4E | |
| SCHEMBL11480829 | 0.69 | ABCG2 (0.61) | ABCG2MAOBHPGDCYP1A1CYP1B1 | |
| SCHEMBL7379900 | 0.69 | KDM4E (0.43) | MAOBHPGDALDH1A1KDM4ECYP1A2 | |
| SCHEMBL6963458 | 0.68 | SMN1; SMN2 (0.46) | MAOBGPR84HPGDCYP1A1CYP1B1 | |
| SCHEMBL24865104 | 0.67 | ABCG2 (0.51) | ABCG2MAOBHPGDCYP1A1CYP1B1 | |
| SCHEMBL8921296 | 0.66 | KDM4E (0.67) | MAOBGPR84HPGDALDH1A1KDM4E | |
| SCHEMBL8945552 | 0.65 | NQO1 (0.58) | MAOBALDH1A1KDM4ECYP1A2CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| US-5504104-A | TREATING INFECTIONS OR DISEASES CAUSED BY RETROVIRUSES, SUCH AS HIV AND AIDS | WARNER-LAMBERT COMPANY (US) | 1996-04-02 | — | — | US | disclosed |