Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESRRA | P11474 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | TACR2 | P21452 | 5/20 | 0.35 |
| ▸ | TACR1 | P25103 | 2/20 | 0.35 |
| ▸ | RORB | Q92753 | 2/20 | 0.35 |
| ▸ | RORC | P51449 | 1/20 | 0.35 |
| ▸ | BCL2L11 | O43521 | 1/20 | 0.35 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.35 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | WDR5 | P61964 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6582820 | 0.88 | ESRRA (0.35) | ESRRAKMT2ANPSR1CYP3A4CYP2D6 | |
| SCHEMBL6579045 | 0.84 | RORC (0.41) | TACR2RORCWDR5 | |
| SCHEMBL6579428 | 0.82 | SLC6A3 (0.37) | SLC6A3TACR2TACR1 | |
| SCHEMBL6577365 | 0.80 | TACR2 (0.33) | TACR2TACR1 | |
| SCHEMBL8142664 | 0.80 | TACR2 (0.33) | TACR2TACR1 | |
| SCHEMBL6579463 | 0.80 | TACR2 (0.33) | TACR2TACR1 | |
| SCHEMBL6579685 | 0.80 | HTT (0.34) | KMT2ATACR2WDR5 | |
| SCHEMBL6579564 | 0.80 | NPC1 (0.35) | KMT2ATACR2 | |
| SCHEMBL6577348 | 0.78 | TACR2 (0.33) | TACR2TACR1 | |
| SCHEMBL6579391 | 0.78 | TACR2 (0.32) | TACR2TACR1 |
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 |