Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | MMP3 | P08254 | 1/20 | 0.42 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | MGLL | Q99685 | 1/20 | 0.37 |
| ▸ | KIF11 | P52732 | 1/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.34 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL297217 | 0.86 | TSHR (0.39) | CYP1A2ALDH1A1HSD17B10TDP1CA1 | |
| Water SCHEMBL9174447 | 0.83 | TSHR (0.37) | CYP1A2ALDH1A1TDP1CA1CA2 | |
| SCHEMBL22830125 | 0.83 | TSHR (0.37) | CYP1A2ALDH1A1TDP1CA1CA2 | |
| SCHEMBL28753733 | 0.78 | ALDH1A1 (0.53) | CYP1A2ALDH1A1TAAR1MAPK1CYP3A4 | |
| SCHEMBL3482541 | 0.77 | ACHE (0.48) | ALDH1A1TDP1CA1CA2CA12 | |
| Biphenyl SCHEMBL7582303 | 0.76 | ALDH1A1 (0.69) | CYP1A2ALDH1A1TAAR1MAPK1CYP3A4 | |
| SCHEMBL24409173 | 0.75 | ALDH1A1 (0.47) | CYP1A2ALDH1A1TAAR1MAPK1CYP3A4 | |
| SCHEMBL15987409 | 0.75 | ALDH1A1 (0.56) | CYP1A2ALDH1A1TAAR1MAPK1CYP3A4 | |
| Tannin Pyrogallol SCHEMBL21448 | 0.72 | ALDH1A1 (0.90) | CYP1A2ALDH1A1TAAR1MAPK1CYP3A4 | |
| SCHEMBL827097 | 0.72 | ALDH1A1 (0.90) | CYP1A2ALDH1A1TAAR1MAPK1CYP3A4 |
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-20230189634-A1 | LIGHT EMITTING ELEMENT AND POLYCYCLIC COMPOUND FOR THE SAME | SAMSUNG DISPLAY CO., LTD. (KR) | 2023-06-15 | — | — | US | disclosed |