Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | IDO1 | P14902 | 2/20 | 0.33 |
| ▸ | TDO2 | P48775 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | ALPL | P05186 | 1/20 | 0.31 |
| ▸ | ALPI | P09923 | 1/20 | 0.31 |
| ▸ | ALPG | P10696 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | PTGES | O14684 | 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 | |
|---|---|---|---|---|
| SCHEMBL59005 | 0.86 | MAPK1 (0.45) | CYP3A4TRPA1TDP1MAPK1ALDH1A1 | |
| SCHEMBL29463737 | 0.82 | CYP3A4 (0.52) | CYP3A4TRPA1TDP1MAPK1ALDH1A1 | |
| SCHEMBL93220 | 0.82 | CYP3A4 (0.52) | CYP3A4TRPA1TDP1MAPK1ALDH1A1 | |
| SCHEMBL8675665 | 0.82 | GABRA1 (0.46) | CYP3A4TRPA1TDP1MAPK1ALDH1A1 | |
| SCHEMBL671741 | 0.79 | CYP3A4 (0.54) | CYP3A4TRPA1TDP1MAPK1ALDH1A1 | |
| SCHEMBL7727468 | 0.77 | KMT2A (0.39) | CYP3A4TRPA1TDP1MAPK1ALDH1A1 | |
| SCHEMBL8589377 | 0.76 | GABRA1 (0.40) | CYP3A4TRPA1MEN1KMT2AIDO1 | |
| SCHEMBL9630369 | 0.73 | CYP3A4 (0.55) | CYP3A4TRPA1TDP1MAPK1ALDH1A1 | |
| SCHEMBL1169221 | 0.73 | CYP3A4 (0.60) | CYP3A4TRPA1TDP1MAPK1ALDH1A1 | |
| SCHEMBL29870840 | 0.73 | CYP3A4 (0.60) | CYP3A4TRPA1TDP1MAPK1ALDH1A1 |
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-0710257-A1 | IMIDO TRANSITION METAL COMPLEX METATHESIS CATALYSTS | SHELL OIL CO (US) | 1996-05-08 | — | — | EP | disclosed |
| WO-1995003346-A1 | IMIDO TRANSITION METAL COMPLEX METATHESIS CATALYSTS | SHELL OIL COMPANY (US) | 1995-02-02 | — | — | WO | disclosed |