Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 5/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | SHBG | P04278 | 1/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.39 |
| ▸ | APP | P05067 | 2/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.39 |
| ▸ | MMP2 | P08253 | 1/20 | 0.39 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.39 |
| ▸ | PAK1 | Q13153 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9192227 | 0.79 | HMGB1 (0.43) | CA1CA2PTGS1PTGS2MAOB | |
| SCHEMBL5423387 | 0.79 | HMGB1 (0.43) | CA1CA2PTGS1PTGS2MAOB | |
| SCHEMBL11165817 | 0.78 | IMPDH2 (0.41) | CYP19A1MEN1KMT2APTPN1APP | |
| SCHEMBL10907860 | 0.78 | ESR1 (0.59) | PTGS1PTGS2CYP19A1MAOBMEN1 | |
| SCHEMBL3880999 | 0.77 | HMGB1 (0.39) | CA1CA2PTGS1PTGS2MAOB | |
| SCHEMBL3863132 | 0.77 | HMGB1 (0.39) | CA1CA2PTGS1PTGS2MAOB | |
| SCHEMBL28114094 | 0.77 | CA1 (0.46) | CA1CA2PTGS1PTGS2MAOB | |
| SCHEMBL4799617 | 0.77 | CA1 (0.46) | CA1CA2PTGS1PTGS2MAOB | |
| SCHEMBL719239 | 0.76 | XDH (0.47) | CA1CA2PTGS1PTGS2MEN1 | |
| SCHEMBL15970505 | 0.75 | MAOB (0.66) | PTGS1PTGS2MAOBPTPN1APP |
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 |
|---|---|---|---|---|---|---|---|
| US-4400545-A | ORGANOLEPTICS, FOODS, TOBACCO | FRITZSCHE DODGE & OLCOTT INC. (US) | 1983-08-23 | — | — | US | disclosed |
| EP-0079989-A1 | Alicyclic ketone and alcohol derivatives | FRITZSCHE DODGE & OLCOTT INC. (US) | 1983-06-01 | — | — | EP | disclosed |
| US-4326997-A | Fragrance compositions of alicyclic ketone and alcohol derivatives | FRITZSCHE DODGE & OLCOTT INC. (US) | 1982-04-27 | — | — | US | disclosed |