Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 6/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.48 |
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | CASP1 | P29466 | 1/20 | 0.48 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | S100B | P04271 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL29502013 | 0.91 | — | — | |
| SCHEMBL29722285 | 0.91 | — | — | |
| SCHEMBL102467 | 0.91 | — | — | |
| SCHEMBL291685 | 0.91 | — | — | |
| Ammonia Solution, Strong SCHEMBL28156672 | 0.89 | CYP3A4 (0.54) | CYP3A4ALDH1A1TDP1TSHRCYP1A1 | |
| Hydrochloric Acid SCHEMBL11831950 | 0.89 | CYP3A4 (0.54) | CYP3A4ALDH1A1TDP1TSHRCYP1A1 | |
| Nitrogen SCHEMBL28363310 | 0.86 | CYP3A4 (0.52) | CYP3A4ALDH1A1TDP1TSHRCYP1A1 | |
| Formic Acid SCHEMBL27819476 | 0.79 | KEAP1 (0.46) | CYP3A4ALDH1A1TDP1TSHRMEN1 | |
| Formic Acid Methyl Ester SCHEMBL23716948 | 0.76 | ALDH1A1 (0.42) | CYP3A4ALDH1A1TDP1TSHRCASP1 | |
| Formic Acid Methyl Ester SCHEMBL28237553 | 0.76 | ALDH1A1 (0.42) | CYP3A4ALDH1A1TDP1TSHRCYP1A1 |
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 |