Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.47 |
| ▸ | CASP3 | P42574 | 2/20 | 0.42 |
| ▸ | SENP7 | Q9BQF6 | 2/20 | 0.42 |
| ▸ | SENP6 | Q9GZR1 | 2/20 | 0.42 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 3/20 | 0.41 |
| ▸ | IDE | P14735 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 7/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.40 |
| ▸ | MAPT | P10636 | 5/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 5/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | HBB | P68871 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 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 | |
|---|---|---|---|---|
| Benzene SCHEMBL28766229 | 0.84 | CYP3A4 (0.61) | ALDH1A1CYP3A4TRPA1MEN1KMT2A | |
| SCHEMBL10534841 | 0.83 | CYP3A4 (0.51) | ALDH1A1CYP3A4CASP3SENP7SENP6 | |
| SCHEMBL10534833 | 0.83 | CYP3A4 (0.51) | ALDH1A1CYP3A4CASP3SENP7SENP6 | |
| SCHEMBL15431 | 0.82 | CYP3A4 (0.64) | ALDH1A1CYP3A4TRPA1MEN1KMT2A | |
| SCHEMBL3266656 | 0.82 | ALDH1A1 (0.75) | ALDH1A1CYP3A4CASP3SENP7SENP6 | |
| SCHEMBL29395383 | 0.82 | CYP3A4 (0.64) | ALDH1A1CYP3A4TRPA1MEN1KMT2A | |
| SCHEMBL9356486 | 0.80 | ALDH1A1 (0.57) | ALDH1A1CYP3A4CASP3SENP7SENP6 | |
| SCHEMBL9356492 | 0.80 | ALDH1A1 (0.57) | ALDH1A1CYP3A4CASP3SENP7SENP6 | |
| SCHEMBL30244709 | 0.79 | CYP3A4 (0.61) | ALDH1A1CYP3A4TRPA1MEN1KMT2A | |
| Water SCHEMBL28526910 | 0.79 | CYP3A4 (0.61) | ALDH1A1CYP3A4TRPA1MEN1KMT2A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4506039-A | HEAT RESISTANT POLYURETHANES | BAYER AKTIENGESELLSCHAFT (DE) | 1985-03-19 | — | — | US | disclosed |