Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SPHK1 | Q9NYA1 | 4/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | NOS1 | P29475 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | F2 | P00734 | 1/20 | 0.36 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.36 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.36 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.36 |
| ▸ | TMPRSS6 | Q8IU80 | 1/20 | 0.36 |
| ▸ | ST14 | Q9Y5Y6 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.35 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.35 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3785285 | 0.88 | AOC3 (0.45) | SPHK1NPC1CYP3A4CYP2D6NOS1 | |
| SCHEMBL13785815 | 0.83 | AOC3 (0.40) | SPHK1NPC1CYP3A4CYP2D6NOS1 | |
| SCHEMBL13911596 | 0.82 | TAAR1 (0.48) | SPHK1NPC1CYP3A4CYP2D6NOS1 | |
| SCHEMBL2492523 | 0.82 | CA2 (0.45) | SPHK1NPC1CYP3A4CYP2D6NOS1 | |
| Hydrochloric Acid SCHEMBL538308 | 0.81 | ADRA2A (0.45) | SPHK1NPC1CYP3A4CYP2D6NOS1 | |
| SCHEMBL12514072 | 0.81 | AOC3 (0.44) | NPC1RAB9AAOC3GRIN2DGRIN3B | |
| SCHEMBL1743186 | 0.79 | ADRA2A (0.50) | F2PRSS1PRSS2PRSS3TMPRSS6 | |
| SCHEMBL13017226 | 0.79 | AOC3 (0.46) | SPHK1NPC1CYP3A4CYP2D6NOS1 | |
| SCHEMBL1996992 | 0.78 | F2 (0.50) | NPC1CYP3A4CYP2D6RAB9AF2 | |
| SCHEMBL5447804 | 0.78 | POLB (0.57) | SPHK1NPC1RAB9A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0901473-B1 | PIPERAZINYLALKYLTHIOPYRIMIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND A PROCESS FOR THE PREPARATION OF THE NOVEL COMPOUNDS | EGYT GYOGYSZERVEGYESZETI GYAR (HU) | 2002-03-13 | — | — | EP | claimed |
| EP-1179529-A1 | NOVEL HYDROXAMIC ACID DERIVATIVES | Daiichi Fine Chemical Co., Ltd. (JP) | 2002-02-13 | — | — | EP | disclosed |
| EP-1101492-A1 | NOVEL REMEDIES FOR ALLERGIC DISEASES | FUJI YAKUHIN KOGYO KABUSHIKI KAISHA (JP) | 2001-05-23 | — | — | EP | disclosed |
| EP-1038864-A1 | NOVEL METALLOPROTEINASE INHIBITORS | FUJI YAKUHIN KOGYO KABUSHIKI KAISHA (JP) | 2000-09-27 | — | — | EP | disclosed |