Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 2/20 | 0.40 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | MEN1 | O00255 | 4/20 | 0.36 |
| ▸ | MAPT | P10636 | 4/20 | 0.36 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 3/20 | 0.35 |
| ▸ | MAOA | P21397 | 2/20 | 0.35 |
| ▸ | PIM1 | P11309 | 2/20 | 0.34 |
| ▸ | ACACA | Q13085 | 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 | |
|---|---|---|---|---|
| SCHEMBL24521351 | 0.97 | CYP1A1 (0.40) | CYP1A1CYP1B1KMT2AALDH1A1MEN1 | |
| SCHEMBL26244288 | 0.97 | CYP1A1 (0.40) | CYP1A1CYP1B1KMT2AALDH1A1MEN1 | |
| SCHEMBL23033880 | 0.97 | CYP1A1 (0.43) | CYP1A1CYP1B1KMT2AALDH1A1MEN1 | |
| SCHEMBL23034470 | 0.96 | CYP1A1 (0.41) | CYP1A1CYP1B1KMT2AALDH1A1MEN1 | |
| SCHEMBL26243946 | 0.96 | CYP1A1 (0.40) | CYP1A1CYP1B1KMT2AALDH1A1MEN1 | |
| SCHEMBL23034458 | 0.96 | CYP1A1 (0.41) | CYP1A1CYP1B1KMT2AALDH1A1MEN1 | |
| SCHEMBL24521137 | 0.95 | ALDH1A1 (0.39) | CYP1A1CYP1B1KMT2AALDH1A1MEN1 | |
| SCHEMBL26243928 | 0.94 | CYP1A1 (0.40) | CYP1A1CYP1B1KMT2AALDH1A1MEN1 | |
| SCHEMBL26244240 | 0.94 | CYP1A1 (0.40) | CYP1A1CYP1B1KMT2AALDH1A1MEN1 | |
| SCHEMBL26243941 | 0.94 | CYP1A1 (0.40) | CYP1A1CYP1B1KMT2AALDH1A1MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-4015515-A1 | HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME | LT Materials Co., Ltd. (KR) | 2022-06-22 | — | — | EP | disclosed |