Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMARCA2 | P51531 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | GFER | P55789 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | GRM5 | P41594 | 2/20 | 0.41 |
| ▸ | PTAFR | P25105 | 1/20 | 0.41 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | PDE4D | Q08499 | 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 | |
|---|---|---|---|---|
| SCHEMBL10686710 | 0.76 | SIGMAR1 (0.57) | CYP1A2CYP2D6SIGMAR1GAATSHR | |
| SCHEMBL6185754 | 0.75 | CYP1A2 (0.57) | CYP1A2CYP2D6SIGMAR1GAAGFER | |
| SCHEMBL10689343 | 0.71 | SMARCA2 (0.44) | SMARCA2TSHRGRM5PTAFRNR1I2 | |
| SCHEMBL27326985 | 0.70 | CYP1A2 (0.58) | CYP1A2CYP2D6SIGMAR1GAAGFER | |
| SCHEMBL11135471 | 0.68 | CYP1A2 (0.71) | CYP1A2CYP2D6SIGMAR1GAAGFER | |
| SCHEMBL11829546 | 0.68 | NOTUM (0.45) | SMARCA2GAAGFERTSHRPTAFR | |
| SCHEMBL2514598 | 0.66 | CYP1A2 (0.63) | CYP1A2CYP2D6TSHRADRA1A | |
| SCHEMBL28089668 | 0.66 | CYP1A2 (0.58) | CYP1A2CYP2D6SIGMAR1GAAGFER | |
| SCHEMBL11850001 | 0.66 | TSHR (0.74) | SMARCA2GAAGFERTSHRMEN1 | |
| SCHEMBL3295742 | 0.64 | MEN1 (0.61) | CYP1A2SIGMAR1MEN1KMT2ATP53 |
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-4732989-A | INTERMEDIATES FOR BACTERICIDES | G. D. SEARLE & CO. (US) | 1988-03-22 | — | — | US | disclosed |
| US-4661602-A | ANTIANAEROBIC AGENTS | G. D. SEARLE & CO. (US) | 1987-04-28 | — | — | US | disclosed |