Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 6/20 | 0.64 |
| ▸ | AKR1C2 | P52895 | 6/20 | 0.64 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.64 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.64 |
| ▸ | TSHR | P16473 | 2/20 | 0.64 |
| ▸ | CDC42 | P60953 | 1/20 | 0.64 |
| ▸ | RAC1 | P63000 | 1/20 | 0.64 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.64 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.64 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.55 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | RIOK2 | Q9BVS4 | 1/20 | 0.54 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL11112102 | 0.90 | PTGS2 (0.57) | AKR1C3AKR1C2PTGS2PTGS1TSHR | |
| SCHEMBL11108474 | 0.88 | AKR1C3 (0.61) | AKR1C3AKR1C2PTGS2PTGS1TSHR | |
| SCHEMBL15713712 | 0.84 | PTGS2 (0.56) | AKR1C3AKR1C2PTGS2PTGS1TSHR | |
| SCHEMBL27277917 | 0.83 | PTGS2 (0.68) | AKR1C3AKR1C2PTGS2PTGS1TSHR | |
| SCHEMBL17488474 | 0.82 | PTGS2 (0.68) | AKR1C3AKR1C2PTGS2PTGS1TSHR | |
| SCHEMBL15160962 | 0.81 | TAS1R3 (0.57) | AKR1C3AKR1C2PTGS2PTGS1TSHR | |
| SCHEMBL21724521 | 0.81 | AKR1C3 (0.55) | AKR1C3AKR1C2PTGS2PTGS1TSHR | |
| SCHEMBL21724520 | 0.81 | AKR1C3 (0.55) | AKR1C3AKR1C2PTGS2PTGS1TSHR | |
| SCHEMBL22217412 | 0.81 | PTGS2 (0.61) | AKR1C3AKR1C2PTGS2PTGS1TSHR | |
| SCHEMBL15160896 | 0.81 | PTGS2 (0.54) | AKR1C3AKR1C2PTGS2PTGS1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-0035641-B1 | CYSTEIN DERIVATIVES, PROCESS FOR THEIR PREPARATION AND MEDICINES CONTAINING THEM | ALFA FARMACEUTICI S.p.A. (IT) | 1984-04-25 | — | — | EP | disclosed |