Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.61 |
| ▸ | HPGD | P15428 | 1/20 | 0.61 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.61 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.44 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA7 | P43166 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.43 |
| ▸ | ERN1 | O75460 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | APLNR | P35414 | 1/20 | 0.39 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29541267 | 0.92 | ALDH1A1 (0.71) | ALDH1A1CYP3A4HPGDTDP1CYP1B1 | |
| SCHEMBL703276 | 0.92 | ALDH1A1 (0.71) | ALDH1A1CYP3A4HPGDTDP1CYP1B1 | |
| SCHEMBL543088 | 0.85 | CYP3A4 (0.71) | ALDH1A1CYP3A4HPGDTDP1CYP1B1 | |
| SCHEMBL29800238 | 0.85 | CYP3A4 (0.71) | ALDH1A1CYP3A4HPGDTDP1CYP1B1 | |
| SCHEMBL7529762 | 0.84 | ALDH1A1 (0.61) | ALDH1A1CYP3A4HPGDTDP1CYP1B1 | |
| SCHEMBL11194657 | 0.83 | ALDH1A1 (0.69) | ALDH1A1CYP3A4HPGDTDP1CYP1B1 | |
| SCHEMBL161063 | 0.83 | CYP3A4 (0.50) | ALDH1A1CYP3A4HPGDTDP1TRPA1 | |
| SCHEMBL8935045 | 0.83 | CYP3A4 (0.84) | ALDH1A1CYP3A4HPGDTDP1TRPA1 | |
| SCHEMBL1907716 | 0.83 | CYP3A4 (0.84) | ALDH1A1CYP3A4HPGDTDP1TRPA1 | |
| SCHEMBL9776922 | 0.79 | CYP3A4 (0.63) | ALDH1A1CYP3A4HPGDTDP1TRPA1 |
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 |