Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | TACR2 | P21452 | 7/20 | 0.33 |
| ▸ | S1PR3 | Q99500 | 4/20 | 0.33 |
| ▸ | S1PR2 | O95136 | 2/20 | 0.33 |
| ▸ | S1PR4 | O95977 | 2/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.33 |
| ▸ | LDHA | P00338 | 1/20 | 0.32 |
| ▸ | LDHB | P07195 | 1/20 | 0.32 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.31 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.31 |
| ▸ | GPR139 | Q6DWJ6 | 1/20 | 0.31 |
| ▸ | WDR5 | P61964 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | PPARG | P37231 | 1/20 | 0.31 |
| ▸ | PPARA | Q07869 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6579767 | 0.88 | TDP1 (0.32) | HTTTACR2S1PR3S1PR2S1PR4 | |
| SCHEMBL6579531 | 0.86 | HTT (0.34) | HTTTACR2S1PR3S1PR2S1PR4 | |
| SCHEMBL6579701 | 0.85 | MCHR1 (0.35) | TACR2LDHALDHBOPRD1WDR5 | |
| SCHEMBL6579564 | 0.83 | NPC1 (0.35) | HTTTACR2S1PR3S1PR2S1PR4 | |
| SCHEMBL6579784 | 0.80 | ESRRA (0.38) | TACR2WDR5KMT2A | |
| SCHEMBL6579045 | 0.78 | RORC (0.41) | TACR2WDR5 | |
| SCHEMBL6577365 | 0.77 | TACR2 (0.33) | TACR2GPR139 | |
| SCHEMBL8142664 | 0.77 | TACR2 (0.33) | TACR2GPR139 | |
| SCHEMBL6579463 | 0.77 | TACR2 (0.33) | TACR2GPR139 | |
| SCHEMBL6576781 | 0.77 | OPRD1 (0.35) | TACR2OPRD1OPRK1 |
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-0994876-B1 | QUATERNARY AMMONIUM COMPOUNDS AS TACHYKININ ANTAGONISTS | PFIZER LTD (GB) | 2004-09-08 | — | — | EP | disclosed |
| US-6380396-B1 | CHEMICAL INTERMEDIATES FOR ANTIINFLAMMATORY AGENTS | PFIZER INC. | 2002-04-30 | — | — | US | disclosed |
| US-6207678-B1 | USED FOR TREATING INFLAMMATORY DISEASE SUCH AS ARTHRITIS, PSORIASIS, ASTHMA OR INFLAMMATORY BOWEL DISEASE, CENTRAL NERVOUS SYSTEM DISORDER SUCH AS ANXIETY, DEPRESSION, DEMENTIA OR PSYCHOSIS, GASTROINTESTINAL DISORDERS | PFIZER INC | 2001-03-27 | — | — | US | disclosed |
| EP-0994876-A1 | QUATERNARY AMMONIUM COMPOUNDS AS TACHYKININ ANTAGONISTS | Pfizer Limited (GB) | 2000-04-26 | — | — | EP | disclosed |
| WO-1998057972-A1 | QUATERNARY AMMONIUM COMPOUNDS AS TACHYKININ ANTAGONISTS | PFIZER LIMITED (GB) | 1998-12-23 | — | — | WO | disclosed |