Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | NOS2 | P35228 | 3/20 | 0.38 |
| ▸ | SMPD1 | P17405 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HCN4 | Q9Y3Q4 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | ABCB1 | P08183 | 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 | |
|---|---|---|---|---|
| SCHEMBL8828232 | 0.88 | ALDH1A1 (0.42) | KMT2ASMPD1MAPTHCN4CYP3A4 | |
| SCHEMBL8828339 | 0.86 | KMT2A (0.38) | KMT2ASMPD1MAPTHCN4CYP3A4 | |
| SCHEMBL8828132 | 0.86 | MAPT (0.44) | KMT2ASMPD1MAPTHCN4CYP3A4 | |
| SCHEMBL8828377 | 0.86 | CYP3A4 (0.50) | KMT2ASMPD1MAPTHCN4CYP3A4 | |
| SCHEMBL8828424 | 0.85 | SMPD1 (0.50) | KMT2ASMPD1MAPTCYP3A4CYP1A2 | |
| SCHEMBL8828215 | 0.83 | CYP3A4 (0.41) | KMT2ASMPD1MAPTHCN4CYP3A4 | |
| SCHEMBL8828195 | 0.82 | OPRM1 (0.44) | KMT2ANOS2MAPTCYP3A4CYP1A2 | |
| SCHEMBL9233122 | 0.81 | OPRM1 (0.42) | KMT2ANOS2MAPTCYP3A4CYP1A2 | |
| SCHEMBL8828159 | 0.79 | HTR2A (0.47) | — | |
| SCHEMBL8828347 | 0.78 | POLB (0.40) | KMT2AMAPTCYP3A4CYP1A2CYP2D6 |
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-5607953-A | ANTIISCHEMIC AGENTS | EISAI CO., LTD. (JP) | 1997-03-04 | — | — | US | disclosed |
| EP-0344577-B1 | Butenoic or propenoic acid derivatives | EISAI CO LTD (JP) | 1996-10-09 | — | — | EP | disclosed |
| US-5382595-A | Antiischemic agents | EISAI CO., LTD. (JP) | 1995-01-17 | — | — | US | disclosed |
| US-5177089-A | Antiischemic agent, vasodilator | EISAI CO., LTD. (JP) | 1993-01-05 | — | — | US | disclosed |
| EP-0344577-A2 | Butenoic or propenoic acid derivatives | Eisai Co., Ltd. (JP) | 1989-12-06 | — | — | EP | disclosed |