Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 4/20 | 0.45 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 7/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 5/20 | 0.44 |
| ▸ | SLC22A6 | Q4U2R8 | 2/20 | 0.44 |
| ▸ | CDC42 | P60953 | 1/20 | 0.44 |
| ▸ | RAC1 | P63000 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | ACACB | O00763 | 8/20 | 0.41 |
| ▸ | ACACA | Q13085 | 6/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | ALB | P02768 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.39 |
| ▸ | RARB | P10826 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11810555 | 0.81 | TDP1 (0.49) | AKR1C3AKR1C2PTGS2PTGS1SLC22A6 | |
| SCHEMBL11828555 | 0.81 | DRD1 (0.45) | AKR1C3AKR1C2PTGS2PTGS1SLC22A6 | |
| SCHEMBL11814009 | 0.79 | PTGS1 (0.49) | PTGS2PTGS1ACACBACACAFFAR1 | |
| SCHEMBL11813994 | 0.79 | KDM4E (0.51) | AKR1C3AKR1C2PTGS2PTGS1SLC22A6 | |
| SCHEMBL11838821 | 0.78 | ACACB (0.44) | AKR1C3AKR1C2PTGS2PTGS1SLC22A6 | |
| SCHEMBL11410948 | 0.75 | PTGS1 (0.55) | PTGS2PTGS1ACACBACACAFFAR1 | |
| SCHEMBL18181863 | 0.75 | ALDH1A1 (0.47) | CYP1A2TSHRLMNACYP2C9 | |
| SCHEMBL11816366 | 0.75 | HRH3 (0.51) | AKR1C3AKR1C2ACACBACACA | |
| SCHEMBL11814403 | 0.75 | PTGS1 (0.48) | AKR1C3AKR1C2PTGS2PTGS1SLC22A6 | |
| SCHEMBL11272301 | 0.74 | PTGS2 (0.50) | AKR1C3AKR1C2PTGS2PTGS1SLC22A6 |
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-3994908-A | ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC, ANTIRHEUMATIC | SHIONOGI & CO., LTD. (JA) | 1976-11-30 | — | — | US | claimed |