Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 2/20 | 0.39 |
| ▸ | QPCT | Q16769 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9468279 | 0.90 | DRD3 (0.41) | NOS2MAOBALDH1A1 | |
| SCHEMBL8828195 | 0.89 | OPRM1 (0.44) | NOS2QPCTMAPTCYP3A4CYP2C9 | |
| SCHEMBL9233122 | 0.87 | OPRM1 (0.42) | NOS2QPCTMAPTCYP3A4CYP2C9 | |
| SCHEMBL8828201 | 0.82 | NOS2 (0.40) | NOS2QPCTMAPTCYP3A4CYP2C9 | |
| SCHEMBL8828189 | 0.82 | NOS2 (0.42) | NOS2QPCTMAOBALDH1A1 | |
| SCHEMBL8828419 | 0.81 | MAOB (0.38) | MAOBALDH1A1MEN1KMT2AKDM4E | |
| SCHEMBL9160192 | 0.81 | CYP3A4 (0.38) | MAPTCYP3A4MAOBALDH1A1MEN1 | |
| SCHEMBL8828231 | 0.81 | OPRM1 (0.44) | NOS2QPCTMAPTCYP3A4ALDH1A1 | |
| SCHEMBL9160628 | 0.80 | MAOB (0.38) | NOS2MAOB | |
| SCHEMBL8828417 | 0.80 | L3MBTL1 (0.42) | MAPTCYP3A4CYP2C9CYP2C19MAOB |
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-5607953-A | ANTIISCHEMIC AGENTS | EISAI CO., LTD. (JP) | 1997-03-04 | — | — | US | 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 |