Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | CLCN2 | P51788 | 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 | |
|---|---|---|---|---|
| Glycine SCHEMBL6988617 | 0.84 | TSHR (0.44) | PTGS2HPGDPKMTSHRCYP3A4 | |
| Acetoacetic Acid SCHEMBL11660404 | 0.79 | CYP3A4 (0.55) | HPGDTSHRCYP3A4MEN1KMT2A | |
| Acetoacetic Acid SCHEMBL7811488 | 0.76 | RAB9A (0.41) | PTGS2PKMTSHRRAB9ANPC1 | |
| SCHEMBL29352576 | 0.74 | — | — | |
| SCHEMBL156450 | 0.74 | — | — | |
| Acetoacetic Acid SCHEMBL11500035 | 0.73 | MCL1 (0.46) | PKMTSHRCYP3A4NPC1MEN1 | |
| Acetoacetic Acid SCHEMBL9480459 | 0.72 | MEN1 (0.42) | HPGDTSHRCYP3A4NPC1MEN1 | |
| 2,5-Xylidine SCHEMBL11500767 | 0.72 | TDP1 (0.59) | TSHRCYP3A4RAB9ANPC1MEN1 | |
| Fluoride SCHEMBL7597154 | 0.72 | AHR (0.48) | TSHRCYP3A4MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL27964236 | 0.72 | AHR (0.48) | HPGDTSHRCYP3A4MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0848706-B1 | SUBSTITUTED BENZENE-FUSED HETEROCYCLICS AS NEUROKININ ANTAGONISTS | SCHERING CORP (US) | 2003-02-05 | — | — | EP | disclosed |
| EP-0773929-B1 | PIPERIDINE DERIVATIVES AS NEUROKININ ANTAGONISTS | SCHERING CORP (US) | 2001-10-31 | — | — | EP | disclosed |
| US-5691362-A | ANTIHISTAMINES, BRONCHODILATORS, ANTIINFLAMMATORY AGENTS, GASTROINTESTINAL DISORDERS | SCHERING-PLOUGH CORPORATION (US) | 1997-11-25 | — | — | US | disclosed |
| US-5654316-A | Piperidine derivatives as neurokinin antagonists | SCHERING CORPORATION (US) | 1997-08-05 | — | — | US | disclosed |
| WO-1996039383-A1 | SUBSTITUTED BENZENE-FUSED HETERO- AND CARBOCYCLICS AS NEUROKININ ANTAGONISTS | SCHERING CORPORATION (US) | 1996-12-12 | — | — | WO | disclosed |