Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.39 |
| ▸ | SMPD1 | P17405 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | FDPS | P14324 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CNR1 | P21554 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Alcohol SCHEMBL8142064 | 0.95 | EPHX1 (0.36) | EPHX1SMPD1ALDH1A1FDPSTDP1 | |
| SCHEMBL27714362 | 0.72 | EPHX1 (0.35) | EPHX1SMPD1ALDH1A1FDPSTDP1 | |
| SCHEMBL4501092 | 0.71 | EPHX1 (0.35) | EPHX1ALDH1A1TDP1CYP1A2CNR1 | |
| SCHEMBL5144715 | 0.70 | EPHX1 (0.32) | EPHX1CYP1A2 | |
| SCHEMBL7080934 | 0.70 | NOS2 (0.30) | — | |
| SCHEMBL16933774 | 0.70 | CYP1A2 (0.46) | EPHX1FDPSCYP1A2CNR1 | |
| SCHEMBL11435904 | 0.69 | EPHX1 (0.47) | EPHX1ALDH1A1TDP1 | |
| SCHEMBL11435390 | 0.68 | EPHX1 (0.46) | EPHX1ALDH1A1TDP1CNR1 | |
| Heptane SCHEMBL241041 | 0.67 | EPHX1 (0.48) | EPHX1ALDH1A1TDP1CYP1A2 | |
| SCHEMBL7553055 | 0.67 | EPHX1 (0.32) | EPHX1CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1020434-A1 | 3-AMIDINOANILINE DERIVATIVES, ACTIVATED BLOOD COAGULATION FACTOR X INHIBITORS, AND INTERMEDIATES FOR PRODUCING BOTH | Kissei Pharmaceutical Co., Ltd. (JP) | 2000-07-19 | — | — | EP | disclosed |
| EP-0454621-B1 | Nematicide agents | NOVARTIS AG (CH) | 2000-07-12 | — | — | EP | disclosed |
| EP-0512352-B1 | Substituted carboxylic acid derivatives | HOFFMANN LA ROCHE (CH) | 1996-03-27 | — | — | EP | disclosed |
| US-5344843-A | Carnitine acryltransferase enzyme inhibitors as antiischemic agents and for cardiovascular disorders | HOFFMAN-LA ROCHE INC. (US) | 1994-09-06 | — | — | US | disclosed |
| EP-0512352-A2 | Substituted carboxylic acid derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1992-11-11 | — | — | EP | disclosed |
| EP-0454621-A2 | Nematicide agents | CIBA-GEIGY AG (CH) | 1991-10-30 | — | — | EP | disclosed |