Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.50 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | MMP3 | P08254 | 1/20 | 0.50 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | MGLL | Q99685 | 1/20 | 0.43 |
| ▸ | KIF11 | P52732 | 1/20 | 0.43 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.43 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.42 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.42 |
| ▸ | APP | P05067 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5858555 | 1.00 | ALDH1A1 (0.60) | ALDH1A1CYP1A2TAAR1MAPK1CYP3A4 | |
| SCHEMBL45621 | 1.00 | ALDH1A1 (0.60) | ALDH1A1CYP1A2TAAR1MAPK1CYP3A4 | |
| Benzene SCHEMBL28609683 | 1.00 | ALDH1A1 (0.60) | ALDH1A1CYP1A2TAAR1MAPK1CYP3A4 | |
| Water SCHEMBL7348466 | 0.97 | ALDH1A1 (0.56) | ALDH1A1CYP1A2TAAR1MAPK1CYP3A4 | |
| SCHEMBL20081062 | 0.91 | ALDH1A1 (0.50) | ALDH1A1CYP1A2TAAR1MAPK1CYP3A4 | |
| SCHEMBL10068158 | 0.91 | ALDH1A1 (0.50) | ALDH1A1CYP1A2TAAR1MAPK1CYP3A4 | |
| SCHEMBL10068160 | 0.91 | ALDH1A1 (0.50) | ALDH1A1CYP1A2TAAR1MAPK1CYP3A4 | |
| Biphenyl SCHEMBL10914721 | 0.90 | ALDH1A1 (0.64) | ALDH1A1CYP1A2TAAR1MAPK1CYP3A4 | |
| SCHEMBL27664209 | 0.89 | MEN1 (0.50) | ALDH1A1CYP1A2TAAR1MAPK1CYP3A4 | |
| SCHEMBL2197871 | 0.89 | MEN1 (0.50) | ALDH1A1CYP1A2TAAR1MAPK1CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021230715-A1 | ORGANIC LIGHT-EMITTING ELEMENT | 주식회사 엘지화학 | 2021-11-18 | — | — | WO | disclosed |