Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.50 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.46 |
| ▸ | NPC1 | O15118 | 4/20 | 0.46 |
| ▸ | RAB9A | P51151 | 4/20 | 0.46 |
| ▸ | CASP3 | P42574 | 3/20 | 0.46 |
| ▸ | SENP8 | Q96LD8 | 3/20 | 0.46 |
| ▸ | SENP7 | Q9BQF6 | 3/20 | 0.46 |
| ▸ | SENP6 | Q9GZR1 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | NSD2 | O96028 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.43 |
| ▸ | HTR3B | O95264 | 2/20 | 0.43 |
| ▸ | HTR3A | P46098 | 2/20 | 0.43 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.43 |
| ▸ | HTR3C | Q8WXA8 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL30019564 | 0.92 | CYP3A4 (0.52) | CYP3A4TRPA1TDP1NPC1RAB9A | |
| SCHEMBL59246 | 0.92 | CYP3A4 (0.52) | CYP3A4TRPA1TDP1NPC1RAB9A | |
| Water SCHEMBL27317701 | 0.90 | CYP3A4 (0.50) | CYP3A4TRPA1TDP1NPC1RAB9A | |
| SCHEMBL11151377 | 0.84 | CYP3A4 (0.48) | CYP3A4TRPA1TDP1NPC1RAB9A | |
| SCHEMBL93286 | 0.84 | CYP3A4 (0.56) | CYP3A4TRPA1TDP1NPC1RAB9A | |
| Toluene SCHEMBL28840552 | 0.82 | CYP3A4 (0.50) | CYP3A4TRPA1TDP1NPC1RAB9A | |
| Toluene SCHEMBL22973769 | 0.82 | TSHR (0.50) | CYP3A4TRPA1TDP1NPC1RAB9A | |
| Hydrogen Sulfide SCHEMBL27351182 | 0.82 | CYP3A4 (0.54) | CYP3A4TRPA1TDP1NPC1RAB9A | |
| SCHEMBL7872646 | 0.80 | POLB (0.45) | TDP1NPC1RAB9AMEN1KMT2A | |
| SCHEMBL2405824 | 0.80 | CYP3A4 (0.44) | CYP3A4TRPA1TDP1NPC1RAB9A |
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 |