Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 13/20 | 0.71 |
| ▸ | AKR1C2 | P52895 | 13/20 | 0.71 |
| ▸ | PTGS2 | P35354 | 7/20 | 0.64 |
| ▸ | PTGS1 | P23219 | 5/20 | 0.64 |
| ▸ | MEN1 | O00255 | 2/20 | 0.64 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.64 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.64 |
| ▸ | AKR1C4 | P17516 | 2/20 | 0.64 |
| ▸ | AKR1C1 | Q04828 | 2/20 | 0.64 |
| ▸ | TSHR | P16473 | 2/20 | 0.64 |
| ▸ | SLC22A6 | Q4U2R8 | 2/20 | 0.64 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.64 |
| ▸ | FABP2 | P12104 | 1/20 | 0.64 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.64 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.64 |
| ▸ | HTR2C | P28335 | 1/20 | 0.64 |
| ▸ | DRD3 | P35462 | 1/20 | 0.64 |
| ▸ | LMNA | P02545 | 1/20 | 0.64 |
| ▸ | MAPT | P10636 | 1/20 | 0.64 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.64 |
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 | |
|---|---|---|---|---|
| SCHEMBL3060226 | 0.88 | AKR1C3 (0.57) | AKR1C3AKR1C2PTGS2PTGS1MEN1 | |
| SCHEMBL11541327 | 0.87 | AKR1C3 (0.78) | AKR1C3AKR1C2PTGS2PTGS1MEN1 | |
| SCHEMBL11540094 | 0.87 | AKR1C3 (0.74) | AKR1C3AKR1C2PTGS2PTGS1MEN1 | |
| SCHEMBL28500498 | 0.84 | AKR1C3 (0.52) | AKR1C3AKR1C2PTGS2PTGS1MEN1 | |
| SCHEMBL3677263 | 0.83 | AKR1C3 (0.66) | AKR1C3AKR1C2PTGS2PTGS1MEN1 | |
| SCHEMBL11542506 | 0.83 | AKR1C3 (0.72) | AKR1C3AKR1C2PTGS2PTGS1MEN1 | |
| SCHEMBL3670700 | 0.82 | AKR1C3 (0.65) | AKR1C3AKR1C2PTGS2PTGS1MEN1 | |
| SCHEMBL31689002 | 0.82 | AKR1C3 (0.65) | AKR1C3AKR1C2PTGS2PTGS1MEN1 | |
| SCHEMBL23070464 | 0.82 | AKR1C3 (1.00) | AKR1C3AKR1C2MEN1KMT2AAKR1C4 | |
| SCHEMBL11951598 | 0.82 | DHFR (0.49) | AKR1C3AKR1C2CYP2C19CYP1A2LMNA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4304931-A | ANTIINFLAMMATORY AGENTS | THE BOOTS COMPANY LIMITED (GB) | 1981-12-08 | — | — | US | disclosed |
| US-4188491-A | PREPARING 2-(4-BIPHENYLYL)PROPIONIC ACIDS BY REACTING BIPHENYLYLMAGNESIUM BROMIDES WITH SODIUM PYRUVATE, ACIDIFYING | THE BOOTS COMPANY LIMITED (GB) | 1980-02-12 | — | — | US | disclosed |