Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | SLC7A5 | Q01650 | 3/20 | 0.46 |
| ▸ | THRB | P10828 | 5/20 | 0.41 |
| ▸ | THRA | P10827 | 4/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | TTR | P02766 | 2/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.40 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | NR3C1 | P04150 | 2/20 | 0.40 |
| ▸ | PGR | P06401 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.40 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.40 |
| ▸ | HTR2B | P41595 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 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 | |
|---|---|---|---|---|
| SCHEMBL5115950 | 1.00 | ALDH1A1 (0.46) | ALDH1A1SLC7A5THRBTHRAMEN1 | |
| Hydrochloric Acid SCHEMBL5776200 | 0.98 | ALDH1A1 (0.48) | ALDH1A1SLC7A5THRBTHRAMEN1 | |
| Hydrochloric Acid SCHEMBL5776197 | 0.98 | ALDH1A1 (0.48) | ALDH1A1SLC7A5THRBTHRAMEN1 | |
| SCHEMBL4490748 | 0.90 | ALDH1A1 (0.41) | ALDH1A1SLC7A5THRBTHRAMEN1 | |
| SCHEMBL14032563 | 0.90 | ALDH1A1 (0.41) | ALDH1A1SLC7A5THRBTHRAMEN1 | |
| SCHEMBL5107901 | 0.90 | ALDH1A1 (0.41) | ALDH1A1SLC7A5THRBTHRAMEN1 | |
| SCHEMBL20715394 | 0.89 | THRB (0.51) | ALDH1A1SLC7A5THRBTHRAMEN1 | |
| Hydrochloric Acid SCHEMBL5107894 | 0.88 | ALDH1A1 (0.43) | ALDH1A1SLC7A5THRBTHRAMEN1 | |
| Hydrochloric Acid SCHEMBL5107895 | 0.88 | ALDH1A1 (0.43) | ALDH1A1SLC7A5THRBTHRAMEN1 | |
| Hydrochloric Acid SCHEMBL22188661 | 0.84 | ALDH1A1 (0.50) | ALDH1A1SLC7A5THRBTHRA |
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-7439258-B2 | Viral polymerase inhibitors | BOEHRINGER INGELHEIM (CANADA) LTD (CA) | 2008-10-21 | — | — | US | disclosed |