Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | LDHA | P00338 | 1/20 | 0.32 |
| ▸ | LDHB | P07195 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | TACR2 | P21452 | 3/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | S1PR2 | O95136 | 2/20 | 0.31 |
| ▸ | S1PR4 | O95977 | 2/20 | 0.31 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.31 |
| ▸ | WDR5 | P61964 | 1/20 | 0.31 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.31 |
| ▸ | PPARG | P37231 | 1/20 | 0.31 |
| ▸ | PPARA | Q07869 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.30 |
| ▸ | CCR5 | P51681 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6579685 | 0.88 | HTT (0.34) | LDHALDHBHTTTACR2S1PR2 | |
| SCHEMBL6579531 | 0.88 | HTT (0.34) | HTTTACR2ALDH1A1S1PR2S1PR4 | |
| SCHEMBL6581521 | 0.83 | UTS2R (0.38) | HTTKDM4EALDH1A1KMT2ACCR5 | |
| SCHEMBL6582482 | 0.76 | LDHA (0.33) | LDHALDHBHTTTACR2TP53 | |
| SCHEMBL6579253 | 0.75 | MEN1 (0.33) | TACR2ALDH1A1MEN1KMT2A | |
| SCHEMBL6579943 | 0.75 | MEN1 (0.33) | TACR2ALDH1A1MEN1KMT2A | |
| SCHEMBL6579701 | 0.74 | MCHR1 (0.35) | LDHALDHBTACR2WDR5 | |
| SCHEMBL6576781 | 0.73 | OPRD1 (0.35) | TACR2 | |
| SCHEMBL6160613 | 0.73 | CA12 (0.41) | TACR2NOTUM | |
| SCHEMBL6579564 | 0.72 | NPC1 (0.35) | HTTTACR2ALDH1A1S1PR2S1PR4 |
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 |