Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.38 |
| ▸ | NOS3 | P29474 | 1/20 | 0.38 |
| ▸ | NOS1 | P29475 | 1/20 | 0.38 |
| ▸ | NOS2 | P35228 | 1/20 | 0.38 |
| ▸ | IRAK4 | Q9NWZ3 | 2/20 | 0.37 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.37 |
| ▸ | PARP1 | P09874 | 3/20 | 0.37 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.37 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL10566219 | 0.82 | PARP1 (0.45) | KDM4ERPS6KB1ROCK2ALDH1A1CHEK2 | |
| SCHEMBL10564980 | 0.77 | IRAK4 (0.46) | RPS6KB1ROCK2ALDH1A1CHEK2IRAK4 | |
| SCHEMBL10565739 | 0.73 | PARP1 (0.45) | RPS6KB1CHEK2PARP1CHRM4CHRM5 | |
| SCHEMBL10370276 | 0.72 | CHRM4 (0.44) | RPS6KB1MEN1ALDH1A1CYP1A2KMT2A | |
| SCHEMBL10569149 | 0.72 | PIK3CD (0.45) | CHEK2NOS3NOS1NOS2CHRM4 | |
| SCHEMBL10561821 | 0.70 | KDM4E (0.55) | KDM4ERPS6KB1MEN1ALDH1A1CYP3A4 | |
| SCHEMBL10371957 | 0.69 | CHEK2 (0.39) | RPS6KB1CHEK2PARP1CHRM4CHRM5 | |
| SCHEMBL10566359 | 0.69 | RPS6KB1 (0.44) | RPS6KB1CHEK2IRAK4PARP1CHRM4 | |
| SCHEMBL10370921 | 0.68 | KCNH2 (0.52) | KDM4EMEN1KMT2ANOS3NOS1 | |
| SCHEMBL10370980 | 0.68 | KMT2A (0.47) | KMT2ASSTR4CHRM4CHRM5CHRM1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4812565-A | ANTIHISTAMINE INTERMEDIATES | A. H. ROBINS COMPANY, INCORPORATED (US) | 1989-03-14 | — | — | US | disclosed |
| US-4810795-A | ANTIHISTAMINES | A. H. ROBINS COMPANY, INCORPORATED (US) | 1989-03-07 | — | — | US | disclosed |
| US-4727152-A | Intermediates useful in the preparation of fused aromatic oxazepinones, thiazepinones, diazepinones and sulfur analogs thereof | A. H. ROBINS COMPANY, INC. (US) | 1988-02-23 | — | — | US | disclosed |
| US-4705853-A | ANTIHISTAMINES | A. H. ROBINS COMPANY, INC. (US) | 1987-11-10 | — | — | US | disclosed |
| US-4642343-A | ANTIHISTAMINES | A. H. ROBINS COMPANY, INCORPORATED (US) | 1987-02-10 | — | — | US | disclosed |
| US-4604388-A | Fused aromatic oxazepinones, thiazepinones, diazepinones and sulfur analogs thereof in a method of counteracting histamine | A. H. ROBINS COMPANY, INCORPORATED (US) | 1986-08-05 | — | — | US | disclosed |
| US-4592866-A | Fused aromatic oxazepinones, thiazepinones, diazepinones and sulfur analogs thereof | A. H. ROBINS COMPANY, INC. (US) | 1986-06-03 | — | — | US | disclosed |