Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.57 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | NOS1 | P29475 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28330942 | 1.00 | ALDH1A1 (0.57) | ALDH1A1ALOX15MAPK1TSHRCYP3A4 | |
| SCHEMBL2969176 | 0.85 | ALDH1A1 (0.70) | ALDH1A1ALOX15MAPK1CYP3A4ESR1 | |
| SCHEMBL28568707 | 0.83 | MAPK1 (0.54) | ALDH1A1ALOX15MAPK1TSHRCYP3A4 | |
| SCHEMBL2441745 | 0.80 | MAPK1 (0.50) | ALDH1A1ALOX15MAPK1TSHRCYP3A4 | |
| SCHEMBL29472192 | 0.78 | ALDH1A1 (0.59) | ALDH1A1ALOX15MAPK1TSHRCYP3A4 | |
| SCHEMBL2969906 | 0.78 | ALDH1A1 (0.59) | ALDH1A1ALOX15MAPK1ESR1ESR2 | |
| SCHEMBL7718229 | 0.78 | ALDH1A1 (0.59) | ALDH1A1ALOX15MAPK1TSHRCYP3A4 | |
| SCHEMBL5550696 | 0.78 | ALDH1A1 (0.59) | ALDH1A1ALOX15MAPK1CYP3A4 | |
| SCHEMBL471136 | 0.77 | TSHR (0.56) | ALDH1A1ALOX15MAPK1TSHRCYP3A4 | |
| SCHEMBL31263652 | 0.77 | TSHR (0.56) | ALDH1A1ALOX15MAPK1TSHRCYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-110423185-B | Method for selectively oxidizing cumene compound | 浙江工业大学 | 2022-03-18 | — | — | CN | disclosed |