Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.60 |
| ▸ | TTR | P02766 | 4/20 | 0.57 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.57 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.57 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.57 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.57 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.57 |
| ▸ | PGR | P06401 | 1/20 | 0.57 |
| ▸ | HTR1A | P08908 | 1/20 | 0.57 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.57 |
| ▸ | RARB | P10826 | 1/20 | 0.57 |
| ▸ | COMT | P21964 | 1/20 | 0.57 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.57 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.57 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.57 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.57 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.57 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.57 |
| ▸ | KLF10 | Q13118 | 1/20 | 0.57 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL5924443 | 0.92 | ESR1 (0.69) | ESR1GPR35KMT2ANPC1ALDH1A1 | |
| SCHEMBL3780586 | 0.88 | ESR1 (0.58) | ESR1TTRABCC3ABCC4NR1I2 | |
| SCHEMBL13011084 | 0.88 | ESR1 (0.60) | ESR1GPR35KMT2ANPC1ALDH1A1 | |
| SCHEMBL8731679 | 0.86 | ESR1 (0.78) | ESR1COMT | |
| SCHEMBL13011349 | 0.85 | ESR1 (0.58) | ESR1GPR35KMT2ANPC1ALDH1A1 | |
| SCHEMBL22470472 | 0.85 | KMT2A (0.52) | ESR1TTRKMT2ANPC1ALDH1A1 | |
| SCHEMBL8726106 | 0.85 | TTR (0.55) | ESR1TTRABCC3ABCC4NR1I2 | |
| SCHEMBL4291025 | 0.85 | ESR1 (0.58) | ESR1GPR35KMT2ANPC1ALDH1A1 | |
| SCHEMBL309910 | 0.84 | ESR1 (0.56) | ESR1TTRKMT2ANPC1ALDH1A1 | |
| SCHEMBL6815909 | 0.84 | KMT2A (0.59) | ESR1KMT2ANPC1ALDH1A1MAPT |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5705703-A | ENZYME INHIBITORS OF TRANSFERASES | HOFFMANN-LA ROCHE INC. (US) | 1998-01-06 | — | — | US | disclosed |
| US-5633371-A | ENZYME INHIBITORS; TREATMENT OF DEPRESSION AND PARKINSON*S DISEASE | HOFFMANN-LA ROCHE INC. (US) | 1997-05-27 | — | — | US | disclosed |
| US-5476875-A | Catechol derivatives | HOFFMAN-LA ROCHE INC. (US) | 1995-12-19 | — | — | US | disclosed |
| US-5389653-A | Inhibitors of the enzyme catechol-O-methyltransferase; useful as co-medication in treatment of Parkinson's disease | HOFFMAN-LA ROCHE INC. (US) | 1995-02-14 | — | — | US | disclosed |
| US-5236952-A | Inhibit the enzyme catechol-O-methyltransferase; for treatment of Parkinson's disease administered with L-dopa | HOFFMANN-LA ROCHE INC. (US) | 1993-08-17 | — | — | US | disclosed |