Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 7/20 | 0.46 |
| ▸ | CREBBP | Q92793 | 5/20 | 0.41 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.41 |
| ▸ | IDH1 | O75874 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.38 |
| ▸ | DRD1 | P21728 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | BMPR1B | O00238 | 1/20 | 0.38 |
| ▸ | BMPR1A | P36894 | 1/20 | 0.38 |
| ▸ | ACVRL1 | P37023 | 1/20 | 0.38 |
| ▸ | ACVR1 | Q04771 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2420794 | 0.84 | IDH1 (0.53) | BRD4IDH1CYP2A6ALDH1A1 | |
| SCHEMBL30444812 | 0.79 | DYRK1A (0.47) | BRD4CREBBPDYRK1ABMPR1BBMPR1A | |
| SCHEMBL20574728 | 0.79 | DYRK1A (0.47) | BRD4CREBBPDYRK1ABMPR1BBMPR1A | |
| SCHEMBL9919107 | 0.78 | BRD4 (0.59) | BRD4CREBBPDYRK1AIDH1ALDH1A1 | |
| SCHEMBL16573986 | 0.78 | BRD4 (0.50) | BRD4CREBBPDYRK1AIDH1HRH3 | |
| SCHEMBL25258561 | 0.76 | BRD4 (0.49) | BRD4CREBBPDYRK1AHRH3ALDH1A1 | |
| SCHEMBL15288929 | 0.76 | BRD4 (0.49) | BRD4CREBBPDYRK1AIDH1HRH3 | |
| SCHEMBL13244689 | 0.76 | CYP2A6 (0.40) | BRD4CYP2A6DRD1ALDH1A1 | |
| SCHEMBL976904 | 0.73 | CYP2A6 (0.58) | BRD4CYP2A6DRD1ALDH1A1 | |
| SCHEMBL25288128 | 0.73 | CYP2A6 (0.58) | BRD4CYP2A6DRD1ALDH1A1 |
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 |