Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RELA | Q04206 | 1/20 | 0.45 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | GRM5 | P41594 | 1/20 | 0.40 |
| ▸ | CHAT | P28329 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 3/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2744945 | 0.78 | RELA (0.48) | RELAMAOBCYP1A2GRM5CHAT | |
| SCHEMBL2744948 | 0.78 | RELA (0.48) | RELAMAOBCYP1A2GRM5CHAT | |
| SCHEMBL19452720 | 0.76 | MAOB (0.46) | RELAMAOBCYP1A2CHATMEN1 | |
| SCHEMBL1132465 | 0.75 | RELA (0.45) | RELAMAOBCYP1A2GRM5CHAT | |
| SCHEMBL7446112 | 0.75 | RELA (0.45) | RELAMAOBCYP1A2GRM5CHAT | |
| SCHEMBL27983986 | 0.75 | RELA (0.45) | RELAMAOBCYP1A2GRM5KMT2A | |
| SCHEMBL7446106 | 0.75 | RELA (0.45) | RELAMAOBCYP1A2GRM5CHAT | |
| SCHEMBL10628481 | 0.72 | TRPA1 (0.42) | RELAMAOBCYP1A2GRM5CHAT | |
| (Z)-1,2-Diphenylethene SCHEMBL27459562 | 0.71 | RELA (0.68) | RELAMAOBGRM5CHATMEN1 | |
| SCHEMBL28732827 | 0.71 | MAOB (0.46) | MAOBCYP1A2MEN1KMT2AHTR2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023205249-A1 | NICOTINE AND NICOTINIC AGONIST COMPOSITIONS FOR THE PREVENTION AND TREATMENT OF PANCREATITIS AND METHODS OF USING SAME | DUKE UNIVERSITY (US) | 2023-10-26 | — | — | WO | disclosed |
| EP-2185152-A2 | ALPHA7 NACHR AGONISTS FOR TREATING OR PREVENTING METABOLIC DISORDERS | Targacept Inc. (US) | 2010-05-19 | — | — | EP | disclosed |
| WO-2009018511-A2 | ALPHA7 NACHR AGONISTS FOR TREATING OR PREVENTING METABOLIC DISORDERS | TARGACEPT, INC. (US) | 2009-02-05 | — | — | WO | disclosed |
| CN-1418095-A | Ocular growth and nicotinic antagonists | VALLEY FORGE PHARMACEUTICALS I (US) | 2003-05-14 | — | — | CN | disclosed |