Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 3/20 | 0.46 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | CYP1A1 | P04798 | 4/20 | 0.41 |
| ▸ | CYP1B1 | Q16678 | 4/20 | 0.41 |
| ▸ | IKBKB | O14920 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | PDE5A | O76074 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL7388201 | 0.94 | ABCG2 (0.43) | ABCG2HPGDALDH1A1LMNACYP1A1 | |
| SCHEMBL7389073 | 0.79 | ABCG2 (0.50) | ABCG2HPGDALDH1A1LMNACYP1A1 | |
| SCHEMBL8945506 | 0.74 | NQO1 (0.53) | ALDH1A1LMNAKDM4ECYP1A2CYP3A4 | |
| SCHEMBL7379900 | 0.74 | KDM4E (0.43) | HPGDALDH1A1LMNAKDM4ECYP1A2 | |
| SCHEMBL11480829 | 0.72 | ABCG2 (0.61) | ABCG2HPGDALDH1A1LMNACYP1A1 | |
| SCHEMBL24865104 | 0.69 | ABCG2 (0.51) | ABCG2HPGDALDH1A1LMNACYP1A1 | |
| SCHEMBL27417488 | 0.68 | CYP2C9 (0.66) | ABCG2ALDH1A1KDM4ECYP3A4CYP2C9 | |
| SCHEMBL8945552 | 0.68 | NQO1 (0.58) | ALDH1A1LMNAKDM4ECYP1A2CYP3A4 | |
| SCHEMBL8923373 | 0.67 | KDM4E (0.74) | HPGDALDH1A1KDM4EMAPTHSD17B10 | |
| SCHEMBL7375775 | 0.67 | HTR2B (0.50) | — |
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 |