Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 6/20 | 0.47 |
| ▸ | HSD17B2 | P37059 | 6/20 | 0.47 |
| ▸ | ESR1 | P03372 | 3/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.44 |
| ▸ | ABL1 | P00519 | 1/20 | 0.41 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.41 |
| ▸ | BCR | P11274 | 1/20 | 0.41 |
| ▸ | KMO | O15229 | 1/20 | 0.40 |
| ▸ | MMP3 | P08254 | 1/20 | 0.40 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8471292 | 0.88 | ALOX5 (0.43) | HSD17B1HSD17B2ESR1CYP3A4CYP2C9 | |
| SCHEMBL6061090 | 0.86 | HSD17B1 (0.52) | HSD17B1HSD17B2ESR1CYP3A4CYP2C9 | |
| SCHEMBL16719879 | 0.80 | ESR2 (0.52) | HSD17B1HSD17B2CYP3A4CYP2C9MEN1 | |
| SCHEMBL5217872 | 0.80 | ACHE (0.50) | HSD17B1HSD17B2CYP3A4CYP2C9 | |
| SCHEMBL2341383 | 0.78 | MMP3 (0.56) | HSD17B1HSD17B2ESR1CYP3A4CYP2C9 | |
| SCHEMBL26567 | 0.76 | MAOA (0.41) | ESR1MEN1KMT2AKMOHDAC4 | |
| SCHEMBL589437 | 0.76 | MAOA (0.41) | ESR1MEN1KMT2AKMOHDAC4 | |
| SCHEMBL1451004 | 0.76 | ALDH1A1 (0.43) | ESR1CYP3A4MEN1KMT2AESR2 | |
| SCHEMBL19845791 | 0.75 | HSD17B1 (0.80) | HSD17B1HSD17B2ESR1CYP3A4CYP2C9 | |
| SCHEMBL11819204 | 0.75 | HSD17B1 (0.80) | HSD17B1HSD17B2ESR1CYP3A4CYP2C9 |
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-2542076-A1 | INHIBITORS OF CATECHOL O-METHYL TRANSFERASE AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS | Merck Sharp & Dohme Corp. (US) | 2013-01-09 | — | — | EP | disclosed |
| WO-2011109254-A1 | INHIBITORS OF CATECHOL O-METHYL TRANSFERASE AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS | MERCK SHARP & DOHME CORP. (US) | 2011-09-09 | — | — | WO | disclosed |