Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | ABCG2 | Q9UNQ0 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | ABCC1 | P33527 | 2/20 | 0.44 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.44 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | PDE5A | O76074 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL31080981 | 1.00 | KMT2A (0.47) | KMT2AABCG2KDM4EALDH1A1HPGD | |
| SCHEMBL22337130 | 0.90 | KMT2A (0.48) | KMT2AABCG2KDM4EALDH1A1HPGD | |
| SCHEMBL28401337 | 0.90 | PTGS2 (0.51) | KDM4EALDH1A1HPGDMAPTHSD17B10 | |
| SCHEMBL29595968 | 0.88 | KDM4E (0.44) | KMT2AABCG2KDM4EALDH1A1HPGD | |
| SCHEMBL16067537 | 0.88 | KDM4E (0.44) | KMT2AABCG2KDM4EALDH1A1HPGD | |
| SCHEMBL19513684 | 0.83 | ESR2 (0.51) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL12764548 | 0.82 | MAOA (0.61) | KMT2AABCG2KDM4EALDH1A1HPGD | |
| SCHEMBL28396374 | 0.82 | KMT2A (0.54) | KMT2AABCG2KDM4EALDH1A1HPGD | |
| SCHEMBL28889872 | 0.82 | CYP1A1 (0.53) | KMT2AABCG2KDM4EALDH1A1HPGD | |
| SCHEMBL29902443 | 0.80 | GABRP (0.47) | KMT2AKDM4EALDH1A1MAPTTP53 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113227076-A | Novel heterocyclic compound and organic light emitting device using the same | 株式会社LG化学 | 2021-08-06 | — | — | CN | disclosed |
| WO-2020162703-A1 | NOVEL HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME | 주식회사 엘지화학 | 2020-08-13 | — | — | WO | disclosed |
| WO-2020162703-A1 | NOVEL HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME | 주식회사 엘지화학 | 2020-08-13 | — | — | WO | disclosed |