Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 5/20 | 0.49 |
| ▸ | CYP1B1 | Q16678 | 5/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.38 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.36 |
| ▸ | DHFR | P00374 | 2/20 | 0.36 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL30760714 | 0.90 | CYP1B1 (0.46) | CYP1A1CYP1B1CYP1A2TDP1HPRT1 | |
| SCHEMBL17383053 | 0.90 | CYP1B1 (0.46) | CYP1A1CYP1B1CYP1A2TDP1HPRT1 | |
| SCHEMBL22337191 | 0.78 | KDM4E (0.38) | CYP1A1CYP1B1CYP1A2TDP1DHFR | |
| SCHEMBL9851949 | 0.77 | ALDH1A1 (0.47) | TDP1ALDH1A1 | |
| SCHEMBL13226080 | 0.77 | CYP1A1 (0.49) | CYP1A1CYP1B1CYP1A2TDP1HPRT1 | |
| SCHEMBL9765551 | 0.77 | HPRT1 (0.44) | TDP1HPRT1PAX8AKR1B1ALDH1A1 | |
| SCHEMBL22337208 | 0.76 | CYP1A1 (0.46) | CYP1A1CYP1B1CYP1A2AKR1B1ALDH1A1 | |
| SCHEMBL13085236 | 0.75 | HPRT1 (0.57) | CYP1A1CYP1B1CYP1A2TDP1HPRT1 | |
| SCHEMBL30154374 | 0.75 | HPRT1 (0.57) | CYP1A1CYP1B1CYP1A2TDP1HPRT1 | |
| SCHEMBL22337116 | 0.75 | CYP1A1 (0.44) | CYP1A1CYP1B1CYP1A2TDP1ALDH1A1 |
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-2020162703-A1 | NOVEL HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME | 주식회사 엘지화학 | 2020-08-13 | — | — | WO | disclosed |