Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 3/20 | 0.74 |
| ▸ | AKR1C3 | P42330 | 13/20 | 0.44 |
| ▸ | AKR1C2 | P52895 | 13/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.40 |
| ▸ | CDC42 | P60953 | 1/20 | 0.40 |
| ▸ | RAC1 | P63000 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL11517522 | 0.85 | AKR1B1 (1.00) | AKR1B1AKR1C3AKR1C2PTGS2PTGS1 | |
| SCHEMBL11520855 | 0.82 | AKR1B1 (0.71) | AKR1B1AKR1C3AKR1C2PTGS2PTGS1 | |
| SCHEMBL11518476 | 0.80 | AKR1B1 (0.68) | AKR1B1AKR1C3AKR1C2PTGS2PTGS1 | |
| SCHEMBL11519000 | 0.79 | AKR1B1 (0.67) | AKR1B1AKR1C3AKR1C2PTGS2PTGS1 | |
| SCHEMBL11270273 | 0.79 | AKR1B1 (1.00) | AKR1B1AKR1C3AKR1C2PTGS2PTGS1 | |
| SCHEMBL11517750 | 0.78 | AKR1B1 (0.65) | AKR1B1AKR1C3AKR1C2PTGS2PTGS1 | |
| Isopropylamine SCHEMBL11690109 | 0.76 | AKR1B1 (0.92) | AKR1B1AKR1C3AKR1C2PTGS2PTGS1 | |
| SCHEMBL5593608 | 0.75 | AKR1B1 (0.60) | AKR1B1AKR1C3AKR1C2PTGS2PTGS1 | |
| SCHEMBL11521292 | 0.73 | AKR1B1 (0.73) | AKR1B1CYP1A2 | |
| SCHEMBL28540948 | 0.73 | AKR1B1 (0.58) | AKR1B1AKR1C3AKR1C2PTGS2PTGS1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4172949-A | 2,4-Disubstituted-5-oxo-5H-dibenzo[a,d]cycloheptenes | SYNTEX (U.S.A.) INC. (US) | 1979-10-30 | — | — | US | disclosed |