Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | CCR5 | P51681 | 3/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.34 |
| ▸ | CHRNG | P07510 | 1/20 | 0.34 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 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 | |
|---|---|---|---|---|
| SCHEMBL19999802 | 0.90 | S1PR1 (0.41) | S1PR1GPBAR1HPGDMAOBALDH1A1 | |
| SCHEMBL21993361 | 0.88 | HPGD (0.36) | HPGDMAOBALDH1A1 | |
| SCHEMBL18181107 | 0.87 | SMN1; SMN2 (0.38) | SMN1; SMN2RAB9AS1PR1EPHX2CYP3A4 | |
| SCHEMBL19999803 | 0.85 | HPGD (0.36) | HPGDMAOB | |
| SCHEMBL19962120 | 0.85 | HPGD (0.38) | HPGDCHRNA1CHRNGCHRNB1CHRNB2 | |
| SCHEMBL21992123 | 0.80 | PGR (0.38) | S1PR1HPGDMAOBALDH1A1CYP2C9 | |
| SCHEMBL21992337 | 0.80 | MAOB (0.39) | HPGDMAOBALDH1A1 | |
| SCHEMBL18180266 | 0.79 | CTSS (0.44) | HPGDALDH1A1 | |
| SCHEMBL21993366 | 0.79 | MAOB (0.40) | HPGDMAOBALDH1A1 | |
| SCHEMBL21992124 | 0.78 | HPGD (0.35) | HPGDSLC6A3MAOB |
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-3286166-B1 | INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | VIIV HEALTHCARE UK NO 5 LTD (GB) | 2020-05-13 | — | — | EP | disclosed |