Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.43 |
| ▸ | CXCR1 | P25024 | 2/20 | 0.43 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.43 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.43 |
| ▸ | ESR1 | P03372 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | ALB | P02768 | 1/20 | 0.43 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.43 |
| ▸ | RARB | P10826 | 1/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.43 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.43 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.43 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9488474 | 1.00 | ALDH1A1 (0.44) | ALDH1A1PTGS1PTGS2LMNACYP2C9 | |
| SCHEMBL9487982 | 0.89 | MAPT (0.52) | ALDH1A1LMNAADRB3ESR1ADRB2 | |
| SCHEMBL9487976 | 0.89 | MAPT (0.52) | ALDH1A1LMNAADRB3ESR1ADRB2 | |
| SCHEMBL9487484 | 0.88 | ALDH1A1 (0.52) | ALDH1A1LMNAADRB3ESR1ADRB2 | |
| SCHEMBL9488666 | 0.87 | CYP4F2 (0.45) | ALDH1A1CYP2C9ADRB3ESR1ADRB2 | |
| SCHEMBL9488664 | 0.87 | CYP4F2 (0.45) | ALDH1A1CYP2C9ADRB3ESR1ADRB2 | |
| SCHEMBL9487991 | 0.87 | MAPT (0.44) | ALDH1A1LMNAADRB3ESR1ADRB2 | |
| SCHEMBL9487986 | 0.87 | MAPT (0.44) | ALDH1A1LMNAADRB3ESR1ADRB2 | |
| SCHEMBL9489970 | 0.85 | SMN1; SMN2 (0.44) | ALDH1A1LMNAADRB3ESR1ADRB2 | |
| SCHEMBL19214520 | 0.84 | ALDH1A1 (0.61) | ALDH1A1LMNAADRB3ESR1TSHR |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0168043-B1 | LIQUID CRYSTAL PHASE | MERCK PATENT GmbH (DE) | 1990-11-07 | — | — | EP | claimed |
| US-5236618-A | Liquid crystal phase | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1993-08-17 | — | — | US | disclosed |
| EP-0168043-B1 | LIQUID CRYSTAL PHASE | MERCK PATENT GmbH (DE) | 1990-11-07 | — | — | EP | disclosed |
| US-4744918-A | Liquid crystal phase | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1988-05-17 | — | — | US | disclosed |
| EP-0168043-A2 | Liquid crystal phase | MERCK PATENT GmbH (DE) | 1986-01-15 | — | — | EP | disclosed |