Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 4/20 | 0.49 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.49 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.49 |
| ▸ | CXCR1 | P25024 | 2/20 | 0.49 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.49 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.49 |
| ▸ | ALB | P02768 | 1/20 | 0.49 |
| ▸ | ESR1 | P03372 | 1/20 | 0.49 |
| ▸ | RARB | P10826 | 1/20 | 0.49 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.49 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.49 |
| ▸ | HTR2A | P28223 | 1/20 | 0.49 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.49 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.49 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.49 |
| ▸ | BLM | P54132 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL12431137 | 0.81 | PTGS1 (0.53) | PTGS1PTGS2LMNACYP2C9AKR1C3 | |
| SCHEMBL15365019 | 0.81 | CYP2C9 (0.59) | PTGS1PTGS2LMNACYP2C9AKR1C3 | |
| SCHEMBL16859990 | 0.80 | PTGS1 (0.49) | PTGS1PTGS2LMNACYP2C9AKR1C3 | |
| SCHEMBL30242220 | 0.80 | PTGS1 (0.49) | PTGS1PTGS2LMNACYP2C9AKR1C3 | |
| SCHEMBL7323204 | 0.79 | PTGS1 (0.51) | PTGS1PTGS2LMNACYP2C9AKR1C3 | |
| SCHEMBL22722986 | 0.79 | PTGS1 (0.51) | PTGS1PTGS2LMNACYP2C9AKR1C3 | |
| SCHEMBL22722992 | 0.79 | PTGS1 (0.51) | PTGS1PTGS2LMNACYP2C9AKR1C3 | |
| SCHEMBL7899580 | 0.78 | CYP2C19 (0.47) | LMNACYP2C9TSHRCHRM1 | |
| SCHEMBL584028 | 0.78 | CYP2C19 (0.47) | LMNACYP2C9TSHRCHRM1 | |
| SCHEMBL5570579 | 0.78 | CYP2C19 (0.47) | LMNACYP2C9TSHRCHRM1 |
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-4713485-A | A, A-DIHALOGENATED KETONES HEATED UNDER PRESSURE WITH AQUEOUS ALKALINE METAL HYDROXIDE AND NON-POLAR HYDROCARBON SOLVENTS | SANOFI and Industria Chimica Prodotti FRANCIS S.p.A. (FR) | 1987-12-15 | — | — | US | disclosed |
| US-4675419-A | Process for preparing α-hydroxy-acids and compounds obtained by this process | SANOFI (FR) | 1987-06-23 | — | — | US | disclosed |