Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.58 |
| ▸ | PAM | P19021 | 1/20 | 0.47 |
| ▸ | MGAM | O43451 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | SI | P14410 | 1/20 | 0.47 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | PDE4A | P27815 | 2/20 | 0.43 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.43 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.43 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.43 |
| ▸ | PORCN | Q9H237 | 1/20 | 0.43 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.43 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.43 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8828149 | 1.00 | ALDH1A1 (0.58) | ALDH1A1PAMMGAMGAASI | |
| SCHEMBL11016050 | 0.81 | RAB9A (0.58) | ALDH1A1MGAMGAASIMGAM2 | |
| SCHEMBL11016051 | 0.81 | RAB9A (0.58) | ALDH1A1MGAMGAASIMGAM2 | |
| SCHEMBL4188670 | 0.75 | ALDH1A1 (1.00) | ALDH1A1MGAMGAASIMGAM2 | |
| SCHEMBL30558759 | 0.73 | ALDH1A1 (0.71) | ALDH1A1MGAMGAASIMGAM2 | |
| SCHEMBL8828286 | 0.73 | PAM (0.60) | PAMALOX5 | |
| SCHEMBL8828282 | 0.73 | PAM (0.60) | PAMALOX5 | |
| SCHEMBL16198288 | 0.73 | ALDH1A1 (0.51) | ALDH1A1CYP3A4CYP2D6CYP1A2CYP19A1 | |
| SCHEMBL326869 | 0.73 | NR4A1 (0.65) | ALDH1A1MGAMGAASIMGAM2 | |
| SCHEMBL8828306 | 0.73 | PAM (0.47) | ALDH1A1PAMCYP3A4CYP2D6CYP1A2 |
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 |