Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.31 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL107647 | 0.74 | PKM (0.35) | TSHRPKMSMN1; SMN2 | |
| SCHEMBL12891867 | 0.74 | TRPA1 (0.34) | ABCB11TRPA1 | |
| SCHEMBL23809802 | 0.72 | — | — | |
| SCHEMBL4610596 | 0.72 | — | — | |
| SCHEMBL12065975 | 0.72 | ALDH1A1 (0.30) | TSHR | |
| SCHEMBL15738980 | 0.72 | — | — | |
| SCHEMBL17904750 | 0.71 | PKM (0.32) | TSHRPKMSMN1; SMN2 | |
| SCHEMBL12891860 | 0.70 | TRPA1 (0.35) | ABCB11TRPA1PKM | |
| SCHEMBL336699 | 0.70 | — | — | |
| SCHEMBL26318965 | 0.70 | TSHR (0.31) | TSHR |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-57064627-A | — | — | None | — | — | JP | disclosed |
| JP-1265046-A | — | — | None | — | — | JP | disclosed |
| EP-0337820-B1 | PENTAFLUOROPHENYL DERIVATIVES, METHODS OF PRODUCTION OF SUCH DERIVATIVES INCLUDING OPTICALLY ACTIVE DERIVATIVES, AND METHOD OF OPTICAL RESOLUTION OF CHIRAL CARBOXYLIC ACIDS | NIKKO KYODO CO., LTD. (JP) | 1993-07-28 | — | — | EP | disclosed |
| US-5041641-A | Pentafluorophenyl derivatives, methods of production thereof, and method of optical resolution of chiral carboxylic acids | NIPPON MINING COMPANY LIMITED (JP) | 1991-08-20 | — | — | US | disclosed |
| JP-H01265046-A | 2-(PENTAFLUOROPHENYL)ALKANOIC ACID DERIVATIVE AND ITS PRODUCTION | NIPPON MINING CO LTD | 1989-10-23 | — | — | JP | disclosed |
| EP-0337820-A1 | Pentafluorophenyl derivatives, methods of production of such derivatives including optically active derivatives, and method of optical resolution of chiral carboxylic acids | NIKKO KYODO CO., LTD. (JP) | 1989-10-18 | — | — | EP | disclosed |
| JP-S5764627-A | 2-PENTAFLUOROPHENYLPROPANOL | SAGAMI CHEM RES CENTER | 1982-04-19 | — | — | JP | disclosed |