Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CA9 | Q16790 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.36 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | HTR6 | P50406 | 1/20 | 0.34 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.33 |
| ▸ | CD44 | P16070 | 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 | |
|---|---|---|---|---|
| SCHEMBL20459508 | 0.84 | CA1 (0.44) | CYP3A4ALDH1A1CA1CA2CA9 | |
| SCHEMBL2094269 | 0.78 | RAPGEF4 (0.46) | CYP3A4ALDH1A1LMNATSHRHTR1A | |
| SCHEMBL14639853 | 0.76 | RAPGEF4 (0.35) | ALDH1A1LMNATSHRGAANR1H4 | |
| SCHEMBL8440890 | 0.74 | HSD17B10 (0.50) | CYP3A4ALDH1A1LMNATSHRHTR1A | |
| SCHEMBL16838144 | 0.74 | MAT2A (0.34) | ALDH1A1LMNATSHRKDM4ENR1H4 | |
| SCHEMBL3786386 | 0.73 | TSHR (0.50) | CYP3A4ALDH1A1CA1CA2CA9 | |
| SCHEMBL28169413 | 0.70 | ALDH1A1 (0.52) | CYP3A4ALDH1A1CA1CA2LMNA | |
| SCHEMBL27464483 | 0.70 | HTR6 (0.36) | CA1CA2TSHRHTR6 | |
| SCHEMBL12764248 | 0.70 | CA1 (0.47) | CYP3A4ALDH1A1CA1CA2CA9 | |
| SCHEMBL11432264 | 0.70 | LMNA (0.52) | ALDH1A1LMNAGAATDP1L3MBTL1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2314598-A1 | Inhibitors of Hepatitis C virus NS3 serine protease | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-04-27 | — | — | EP | disclosed |
| US-5807875-A | OBESITY THERAPY | DR. KARL THOMAE GMBH (DE) | 1998-09-15 | — | — | US | disclosed |