Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 11/20 | 0.54 |
| ▸ | TPMT | P51580 | 1/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 9/20 | 0.44 |
| ▸ | CXCR1 | P25024 | 4/20 | 0.44 |
| ▸ | CXCR2 | P25025 | 4/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | SLC22A6 | Q4U2R8 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.44 |
| ▸ | CXCL8 | P10145 | 2/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | THPO | P40225 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL5846200 | 1.00 | PTGS2 (0.54) | PTGS2TPMTPTGS1CXCR1CXCR2 | |
| Hydrochloric Acid SCHEMBL5846495 | 0.98 | PTGS2 (0.53) | PTGS2TPMTPTGS1CXCR1CXCR2 | |
| SCHEMBL2182113 | 0.86 | PTGS2 (0.44) | PTGS2PTGS1CXCR1CXCR2LMNA | |
| SCHEMBL27774456 | 0.83 | TPMT (0.42) | PTGS2TPMTSMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL17694473 | 0.82 | AKR1C3 (0.54) | PTGS2PTGS1SLC22A6KDM4EAKR1C3 | |
| SCHEMBL17694465 | 0.82 | AKR1C3 (0.54) | PTGS2PTGS1SLC22A6KDM4EAKR1C3 | |
| SCHEMBL17694468 | 0.82 | AKR1C3 (0.54) | PTGS2PTGS1SLC22A6KDM4EAKR1C3 | |
| SCHEMBL7076065 | 0.79 | PTGS2 (0.45) | PTGS2PTGS1CXCR1CXCR2LMNA | |
| SCHEMBL999861 | 0.79 | PTGS2 (0.45) | PTGS2PTGS1CXCR1CXCR2LMNA | |
| SCHEMBL5846489 | 0.79 | TPMT (0.39) | PTGS2TPMTALDH1A1HPGDTSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-0441979-B1 | OPTICALLY ACTIVE 2-(ALKYL-SUBSTITUTED PHENYL)-PROPIONIC ACID DERIVATIVE AND OPTICAL RESOLUTION OF ( )-1-METHYL-3-PHENYLPROPYLAMINE | DAICEL CHEM (JP) | 1996-01-31 | — | — | EP | disclosed |
| EP-0441979-A1 | OPTICALLY ACTIVE 2-(ALKYL-SUBSTITUTED PHENYL)-PROPIONIC ACID DERIVATIVE AND OPTICAL RESOLUTION OF ( )-1-METHYL-3-PHENYLPROPYLAMINE | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 1991-08-21 | — | — | EP | disclosed |