Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | HPRT1 | P00492 | 2/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | PAK1 | Q13153 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.38 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | CASP7 | P55210 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL31323122 | 1.00 | CYP2A6 (0.44) | CYP2A6ALDH1A1TSHRHSD17B10TDP1 | |
| SCHEMBL15906500 | 0.77 | CYP2A6 (0.56) | CYP2A6ALDH1A1TSHRHSD17B10TDP1 | |
| SCHEMBL30357700 | 0.77 | CYP2A6 (0.46) | CYP2A6ALDH1A1TSHRHSD17B10TDP1 | |
| SCHEMBL1057369 | 0.77 | CYP2A6 (0.46) | CYP2A6ALDH1A1TSHRHSD17B10TDP1 | |
| SCHEMBL20669680 | 0.75 | CYP2A6 (0.44) | CYP2A6ALDH1A1TSHRHSD17B10TDP1 | |
| SCHEMBL21830123 | 0.75 | CYP2A6 (0.44) | CYP2A6ALDH1A1TSHRHSD17B10TDP1 | |
| SCHEMBL11660677 | 0.75 | USP2 (0.70) | CYP2A6ALDH1A1TSHRHSD17B10TDP1 | |
| SCHEMBL21830121 | 0.75 | HSD17B10 (0.44) | CYP2A6ALDH1A1TSHRHSD17B10TDP1 | |
| SCHEMBL11718402 | 0.75 | USP2 (0.48) | CYP2A6ALDH1A1TSHRHSD17B10TDP1 | |
| SCHEMBL15003434 | 0.74 | ALDH1A1 (0.42) | CYP2A6ALDH1A1TSHRHSD17B10TDP1 |
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-9905773-B2 | Compound for organic electronic element, organic electronic element using the same and electronic device thereof | DUK SAN NEOLUX CO., LTD. (KR) | 2018-02-27 | — | — | US | disclosed |