Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | NCOA1 | Q15788 | 2/20 | 0.39 |
| ▸ | NCOA3 | Q9Y6Q9 | 2/20 | 0.39 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.36 |
| ▸ | SQOR | Q9Y6N5 | 1/20 | 0.36 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9871610 | 1.00 | ALDH1A1 (0.39) | ALDH1A1KDM4EHPGDSMN1; SMN2MEN1 | |
| SCHEMBL9871014 | 0.88 | TACR1 (0.38) | ALDH1A1HPGDMEN1KMT2AGPR119 | |
| SCHEMBL9871007 | 0.88 | TACR1 (0.38) | ALDH1A1HPGDMEN1KMT2AGPR119 | |
| SCHEMBL9870230 | 0.85 | HMGCR (0.43) | PTPN1 | |
| SCHEMBL9871615 | 0.79 | HMGCR (0.35) | HPGDKMT2AGPR119 | |
| SCHEMBL10466201 | 0.77 | HMGCR (0.46) | ADORA3CYP2C9 | |
| SCHEMBL9870912 | 0.77 | HMGCR (0.46) | ADORA3CYP2C9 | |
| SCHEMBL10466197 | 0.77 | HMGCR (0.46) | ADORA3CYP2C9 | |
| SCHEMBL9420583 | 0.70 | CNR2 (0.41) | ALDH1A1LMNACYP1A2 | |
| SCHEMBL9420580 | 0.70 | CNR2 (0.41) | ALDH1A1LMNACYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| US-4997837-A | Enzyme inhibitors | WARNER-LAMBERT COMPANY (US) | 1991-03-05 | — | — | US | disclosed |
| US-4906624-A | 6-(((Substituted)pyridin-3-yl)alkyl)-and alkenyl)-tetrahydro-4-hydroxypyran-2-one inhibitors of cholesterol biosynthesis | WARNER-LAMBERT COMPANY (US) | 1990-03-06 | — | — | US | disclosed |