Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 8/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | ABCB1 | P08183 | 6/20 | 0.39 |
| ▸ | ABCC1 | P33527 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.39 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.39 |
| ▸ | SCN1A | P35498 | 2/20 | 0.39 |
| ▸ | SCN2A | Q99250 | 2/20 | 0.39 |
| ▸ | SCN3A | Q9NY46 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8828132 | 0.90 | MAPT (0.44) | CYP3A4CYP1A2CYP2D6PMP22BLM | |
| SCHEMBL8828377 | 0.90 | CYP3A4 (0.50) | CYP3A4CYP1A2CYP2D6PMP22BLM | |
| SCHEMBL8828424 | 0.89 | SMPD1 (0.50) | CYP3A4CYP1A2CYP2D6PMP22BLM | |
| SCHEMBL8828159 | 0.84 | HTR2A (0.47) | HTR1AADRA2ADRD2ADRA2BADRA2C | |
| SCHEMBL8828359 | 0.83 | KMT2A (0.39) | CYP3A4CYP1A2CYP2D6PMP22BLM | |
| SCHEMBL8828339 | 0.82 | KMT2A (0.38) | CYP3A4CYP1A2CYP2D6PMP22BLM | |
| SCHEMBL8828260 | 0.80 | OPRM1 (0.47) | CYP3A4CYP1A2CYP2D6PMP22BLM | |
| SCHEMBL8828234 | 0.75 | CYP3A4 (0.50) | CYP3A4CYP1A2CYP2D6PMP22BLM | |
| SCHEMBL8828430 | 0.75 | MAPT (0.59) | MEN1KMT2AALDH1A1MAPTLMNA | |
| SCHEMBL8828400 | 0.73 | CYP3A4 (0.47) | CYP3A4CYP1A2CYP2D6PMP22BLM |
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 6 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 |
| US-5047417-A | Butenoic or propenoic acid derivatives | EISAI CO. LTD. (JP) | 1991-09-10 | — | — | US | disclosed |
| EP-0344577-A2 | Butenoic or propenoic acid derivatives | Eisai Co., Ltd. (JP) | 1989-12-06 | — | — | EP | disclosed |