Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | KCNA3 | P22001 | 6/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11732329 | 0.89 | KCNA3 (0.43) | CYP3A4CYP2D6CHRM2CHRM1CHRM3 | |
| SCHEMBL11226666 | 0.83 | KCNA3 (0.40) | CYP3A4CYP2D6CHRM2CHRM1CHRM3 | |
| SCHEMBL11223736 | 0.81 | KCNA3 (0.42) | CHRM2CHRM1CHRM3KCNA3RAB9A | |
| SCHEMBL11220612 | 0.80 | CYP2D6 (0.41) | CYP3A4CYP2D6CHRM2CHRM1CHRM3 | |
| SCHEMBL11235320 | 0.79 | KCNA3 (0.50) | KCNA3 | |
| SCHEMBL11220493 | 0.78 | CCR1 (0.44) | CHRM2CHRM1CHRM3KCNA3RAB9A | |
| SCHEMBL11228398 | 0.78 | ATM (0.44) | CYP3A4CYP2D6CHRM2CHRM1CHRM3 | |
| SCHEMBL11832937 | 0.78 | MEN1 (0.40) | CHRM2CHRM1CHRM3KCNA3MEN1 | |
| SCHEMBL11226664 | 0.77 | CYP2D6 (0.46) | CYP3A4CYP2D6CHRM2CHRM1CHRM3 | |
| SCHEMBL11225253 | 0.77 | SLC6A3 (0.44) | CHRM3KCNA3 |
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-4324791-A | DERIVATIVES OF 3,3-DIPHENYL-2-PYRROLIDINONES | A. H. ROBINS COMPANY, INC. (US) | 1982-04-13 | — | — | US | disclosed |
| US-4296037-A | 4,5-Dihydro-3,3-diphenyl-4-hydrocarbylaminomethylfuran-2(3H) ones | A. H. ROBINS COMPANY, INCORPORATED (US) | 1981-10-20 | — | — | US | disclosed |
| US-4144245-A | 4-Hydroxymethyl-2-pyrrolidinones | A. H. ROBINS COMPANY, INC. (US) | 1979-03-13 | — | — | US | disclosed |
| US-4120969-A | ANALGETIC, ANTIDIARRHEAL ACTIVITY | A. H. ROBINS COMPANY, INCORPORATED (US) | 1978-10-17 | — | — | US | disclosed |
| US-4119637-A | 4-Hydroxymethyl-2-pyrrolidinones | A. H. ROBINS COMPANY, INC. (US) | 1978-10-10 | — | — | US | disclosed |