Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.64 |
| ▸ | MAOA | P21397 | 2/20 | 0.61 |
| ▸ | CES1 | P23141 | 2/20 | 0.57 |
| ▸ | BCHE | P06276 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | MIF | P14174 | 3/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | TDP2 | O95551 | 1/20 | 0.42 |
| ▸ | CASP3 | P42574 | 1/20 | 0.42 |
| ▸ | CASP7 | P55210 | 1/20 | 0.42 |
| ▸ | CASP9 | P55211 | 1/20 | 0.42 |
| ▸ | CASP6 | P55212 | 1/20 | 0.42 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.42 |
| ▸ | MAP3K14 | Q99558 | 1/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL732656 | 0.87 | MAOA (0.73) | ACHEMAOACES1BCHEALDH1A1 | |
| SCHEMBL8160719 | 0.84 | ACHE (0.70) | ACHEMAOACES1BCHEALDH1A1 | |
| SCHEMBL9781046 | 0.82 | MAOA (0.59) | ACHEMAOACES1BCHEALDH1A1 | |
| SCHEMBL13120272 | 0.79 | MAOA (0.55) | ACHEMAOACES1BCHEALDH1A1 | |
| SCHEMBL11591007 | 0.79 | MAOA (0.55) | ACHEMAOACES1BCHEALDH1A1 | |
| Anthrone SCHEMBL18143 | 0.77 | MAOA (1.00) | ACHEMAOACES1BCHEALDH1A1 | |
| Anthrone SCHEMBL29357010 | 0.77 | MAOA (1.00) | ACHEMAOACES1BCHEALDH1A1 | |
| Anthrone SCHEMBL1527782 | 0.77 | MAOA (1.00) | ACHEMAOACES1BCHEALDH1A1 | |
| Anthrone SCHEMBL29448801 | 0.77 | MAOA (1.00) | ACHEMAOACES1BCHEALDH1A1 | |
| SCHEMBL2319027 | 0.77 | MAOA (0.90) | ACHEMAOACES1BCHEALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0986530-A1 | INDANE COMPOUNDS AND THEIR PHARMACEUTICAL USE | Venantius Limited (IE) | 2000-03-22 | — | — | EP | claimed |
| WO-1998055439-A1 | INDANE COMPOUNDS AND THEIR PHARMACEUTICAL USE | VENANTIUS LIMITED (IE) | 1998-12-10 | — | — | WO | claimed |
| US-6300376-B1 | FOR THERAPY TO ACHIEVE SMOOTH MUSCLE RELAXING ACTIVITY AND/OR MAST CELL STABILIZING ACTIVITY AND/OR ANTI-INFLAMMATORY ACTIVITY | VENANTIUS LIMITED (IR) | 2001-10-09 | — | — | US | disclosed |