Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CD | O00329 | 5/20 | 0.45 |
| ▸ | PIK3CA | P42336 | 5/20 | 0.45 |
| ▸ | PIK3CB | P42338 | 5/20 | 0.45 |
| ▸ | PIK3CG | P48736 | 5/20 | 0.45 |
| ▸ | NOS3 | P29474 | 1/20 | 0.45 |
| ▸ | NOS1 | P29475 | 1/20 | 0.45 |
| ▸ | NOS2 | P35228 | 1/20 | 0.45 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.42 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.41 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.41 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.39 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.39 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | HTR2B | P41595 | 1/20 | 0.39 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.39 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.39 |
| ▸ | ATR | Q13535 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10562808 | 0.77 | ATR (0.44) | NOS3NOS1NOS2CHEK2HCRTR1 | |
| SCHEMBL30541545 | 0.72 | NOS3 (0.48) | NOS3NOS1NOS2CHRM4CHRM5 | |
| SCHEMBL10568631 | 0.72 | KDM4E (0.40) | NOS3NOS1NOS2CHEK2CHRM4 | |
| SCHEMBL10370921 | 0.71 | KCNH2 (0.52) | NOS3NOS1NOS2CHRM4CHRM5 | |
| SCHEMBL10564465 | 0.70 | RPS6KB1 (0.47) | NOS3NOS1NOS2HCRTR1HCRTR2 | |
| SCHEMBL10566219 | 0.70 | PARP1 (0.45) | CHEK2HCRTR1HCRTR2CHRM4CHRM5 | |
| SCHEMBL2621797 | 0.69 | HCRTR1 (0.52) | PIK3CDPIK3CAPIK3CBPIK3CGHCRTR1 | |
| SCHEMBL10564980 | 0.69 | IRAK4 (0.46) | CHEK2PDE10APDE3BPDE3A | |
| SCHEMBL10370980 | 0.69 | KMT2A (0.47) | HCRTR1HCRTR2CHRM4CHRM5CHRM1 | |
| SCHEMBL7031287 | 0.69 | PDE4B (0.56) | CHEK2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4810795-A | ANTIHISTAMINES | A. H. ROBINS COMPANY, INCORPORATED (US) | 1989-03-07 | — | — | 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 |