Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 11/20 | 0.78 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.78 |
| ▸ | SLCO1B3 | Q9NPD5 | 3/20 | 0.78 |
| ▸ | SLCO1B1 | Q9Y6L6 | 3/20 | 0.78 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.78 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.78 |
| ▸ | AR | P10275 | 1/20 | 0.78 |
| ▸ | PGR | P06401 | 1/20 | 0.77 |
| ▸ | HTR1A | P08908 | 1/20 | 0.77 |
| ▸ | DRD1 | P21728 | 1/20 | 0.77 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.77 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.77 |
| ▸ | DRD3 | P35462 | 1/20 | 0.77 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.77 |
| ▸ | USP2 | O75604 | 2/20 | 0.73 |
| ▸ | MLNR | O43193 | 2/20 | 0.72 |
| ▸ | TSHR | P16473 | 2/20 | 0.72 |
| ▸ | LMNA | P02545 | 2/20 | 0.72 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.72 |
| ▸ | ALB | P02768 | 1/20 | 0.72 |
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 | |
|---|---|---|---|---|
| SCHEMBL12372482 | 1.00 | CYP3A4 (0.78) | CYP3A4KCNH2SLCO1B3SLCO1B1ABCB1 | |
| SCHEMBL14010007 | 1.00 | CYP3A4 (0.78) | CYP3A4KCNH2SLCO1B3SLCO1B1ABCB1 | |
| SCHEMBL17300551 | 1.00 | CYP3A4 (0.78) | CYP3A4KCNH2SLCO1B3SLCO1B1ABCB1 | |
| SCHEMBL10218413 | 0.97 | CYP3A4 (0.77) | CYP3A4KCNH2SLCO1B3SLCO1B1ABCB1 | |
| SCHEMBL13722848 | 0.97 | CYP3A4 (0.77) | CYP3A4KCNH2SLCO1B3SLCO1B1ABCB1 | |
| SCHEMBL14022608 | 0.96 | CYP3A4 (0.84) | CYP3A4KCNH2SLCO1B3SLCO1B1ABCB1 | |
| SCHEMBL14030397 | 0.96 | CYP3A4 (0.84) | CYP3A4KCNH2SLCO1B3SLCO1B1ABCB1 | |
| SCHEMBL14030291 | 0.96 | CYP3A4 (0.84) | CYP3A4KCNH2SLCO1B3SLCO1B1ABCB1 | |
| SCHEMBL19360836 | 0.96 | CYP3A4 (0.84) | CYP3A4KCNH2SLCO1B3SLCO1B1ABCB1 | |
| SCHEMBL12832380 | 0.96 | CYP3A4 (0.84) | CYP3A4KCNH2SLCO1B3SLCO1B1ABCB1 |
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-9901592-B2 | Methods for treating resistant diseases using triazole containing macrolides | CEMPRA PHARMACEUTICALS, INC. (US) | 2018-02-27 | — | — | US | disclosed |