Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 6/20 | 0.52 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.52 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | CA7 | P43166 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.48 |
| ▸ | CYP1A1 | P04798 | 5/20 | 0.47 |
| ▸ | CYP1B1 | Q16678 | 5/20 | 0.47 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.46 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.43 |
| ▸ | RAD52 | P43351 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8558574 | 0.85 | CA12 (0.65) | CYP1A2CYP2A6CA12CA1CA2 | |
| SCHEMBL14231756 | 0.82 | NQO1 (0.52) | CYP1A2CYP2A6CA12CA1CA2 | |
| SCHEMBL16067922 | 0.81 | NQO1 (0.56) | CYP1A2CYP2A6CA12CA1CA2 | |
| SCHEMBL23371163 | 0.79 | CYP1A2 (0.56) | CYP1A2CYP2A6CA12CA1CA2 | |
| SCHEMBL30092293 | 0.79 | CYP1A2 (0.56) | CYP1A2CYP2A6CA12CA1CA2 | |
| SCHEMBL14986662 | 0.79 | CA12 (0.62) | CYP1A2CA12CA1CA2CA7 | |
| SCHEMBL10187099 | 0.79 | CA12 (0.62) | CYP1A2CYP2A6CA12CA1CA2 | |
| SCHEMBL7452675 | 0.78 | CYP1A2 (0.71) | CYP1A2CYP2A6CA12CA1CA2 | |
| SCHEMBL7451812 | 0.78 | CYP1A2 (0.71) | CYP1A2CYP2A6CA12CA1CA2 | |
| SCHEMBL6891918 | 0.78 | CYP1A2 (0.71) | CYP1A2CYP2A6CA12CA1CA2 |
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-2020122671-A1 | COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME | 주식회사 엘지화학 | 2020-06-18 | — | — | WO | disclosed |