Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | MMP2 | P08253 | 2/20 | 0.41 |
| ▸ | MMP12 | P39900 | 2/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9815987 | 1.00 | ALDH1A1 (0.47) | ALDH1A1SMN1; SMN2MMP2MMP12ALOX5 | |
| SCHEMBL9739311 | 0.88 | ALDH1A1 (0.45) | ALDH1A1SMN1; SMN2MMP2MMP12ALOX5 | |
| SCHEMBL9738316 | 0.76 | ALDH1A1 (0.44) | ALDH1A1SMN1; SMN2MMP2MMP12ALOX5 | |
| SCHEMBL9738326 | 0.76 | ALDH1A1 (0.44) | ALDH1A1SMN1; SMN2MMP2MMP12ALOX5 | |
| SCHEMBL11659494 | 0.75 | ALDH1A1 (0.45) | ALDH1A1SMN1; SMN2MMP2MMP12 | |
| SCHEMBL11659497 | 0.75 | ALDH1A1 (0.45) | ALDH1A1SMN1; SMN2MMP2MMP12 | |
| SCHEMBL7589072 | 0.75 | ALDH1A1 (0.53) | ALDH1A1SMN1; SMN2MMP2MMP12LMNA | |
| SCHEMBL8921592 | 0.75 | ALDH1A1 (0.53) | ALDH1A1SMN1; SMN2MMP2MMP12LMNA | |
| SCHEMBL1609495 | 0.72 | ALDH1A1 (0.52) | ALDH1A1SMN1; SMN2MMP2MMP12LMNA | |
| SCHEMBL9739838 | 0.72 | ALDH1A1 (0.42) | ALDH1A1SMN1; SMN2ALOX5CES1TSHR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-3130094-A | — | — | None | — | — | JP | disclosed |
| US-5097075-A | 1,1,1-TRIFLUORO-2-HYDROXY COMPOUND | SHOWA SHELL SEKIYU KABUSHIKI KAISHA (JP) | 1992-03-17 | — | — | US | disclosed |
| JP-H03130094-A | OPTICALLY ACTIVE PROPARGYL ALCOHOL CONTAINING TRIFLUOROMETHYL GROUP | SHOWA SHELL SEKIYU KK | 1991-06-03 | — | — | JP | disclosed |
| EP-0423992-A1 | 1,1,1-Trifluoro-2-hydroxy compound | Showa Shell Sekiyu Kabushiki Kaisha (JP) | 1991-04-24 | — | — | EP | disclosed |