Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR3 | Q99500 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | VNN1 | O95497 | 7/20 | 0.33 |
| ▸ | SCN5A | Q14524 | 2/20 | 0.32 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.32 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.31 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.31 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.31 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.31 |
| ▸ | BRAF | P15056 | 1/20 | 0.31 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.31 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.31 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.31 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.31 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 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 | |
|---|---|---|---|---|
| SCHEMBL6582482 | 0.87 | LDHA (0.33) | S1PR3HTTCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL6579531 | 0.84 | HTT (0.34) | S1PR3HTTS1PR4S1PR1CYP1A2 | |
| SCHEMBL6582820 | 0.79 | ESRRA (0.35) | CYP3A4SLC6A3 | |
| SCHEMBL6580132 | 0.78 | TAS1R3 (0.31) | — | |
| SCHEMBL6579201 | 0.76 | HCRTR2 (0.33) | SCN9A | |
| SCHEMBL6579663 | 0.76 | HCRTR2 (0.33) | SCN9A | |
| SCHEMBL6579045 | 0.74 | RORC (0.41) | AKR1C3AKR1C2 | |
| SCHEMBL6579701 | 0.73 | MCHR1 (0.35) | — | |
| SCHEMBL6579767 | 0.72 | TDP1 (0.32) | S1PR3HTTS1PR4S1PR1 | |
| SCHEMBL6581521 | 0.72 | UTS2R (0.38) | HTT |
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 |