Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL93162 | 0.82 | CYP3A4 (0.52) | TDP1MAPK1CYP3A4TRPA1ALDH1A1 | |
| SCHEMBL29536872 | 0.82 | CYP3A4 (0.52) | TDP1MAPK1CYP3A4TRPA1ALDH1A1 | |
| SCHEMBL10493515 | 0.81 | TDP1 (0.67) | TDP1MAPK1CYP3A4TRPA1ALDH1A1 | |
| Chlorobenzene SCHEMBL28207890 | 0.79 | MAPK1 (0.47) | TDP1MAPK1CYP3A4TRPA1CYP1A2 | |
| SCHEMBL93410 | 0.78 | MAPK1 (0.52) | TDP1MAPK1CYP3A4TRPA1CYP1A2 | |
| SCHEMBL7733603 | 0.78 | CYP3A4 (0.41) | TDP1CYP3A4TRPA1ALDH1A1CYP1A2 | |
| SCHEMBL28202222 | 0.76 | MAPK1 (0.50) | TDP1MAPK1CYP3A4TRPA1CYP1A2 | |
| Toluene SCHEMBL28207248 | 0.75 | TDP1 (0.43) | TDP1MAPK1CYP3A4TRPA1ALDH1A1 | |
| SCHEMBL10316610 | 0.74 | MAPK1 (0.52) | TDP1MAPK1CYP3A4TRPA1CYP1A2 | |
| SCHEMBL7921988 | 0.73 | MAPK1 (0.44) | TDP1MAPK1CYP3A4TRPA1TSHR |
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 |