Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 3/20 | 0.39 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.32 |
| ▸ | MAPT | P10636 | 3/20 | 0.32 |
| ▸ | HPGD | P15428 | 3/20 | 0.32 |
| ▸ | NQO1 | P15559 | 1/20 | 0.32 |
| ▸ | NQO2 | P16083 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | F9 | P00740 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.31 |
| ▸ | LIMK2 | P53671 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL24028429 | 0.94 | CYP1A1 (0.38) | CYP1A1CYP1B1CYP1A2ALOX5ALDH1A1 | |
| SCHEMBL24028450 | 0.91 | CYP1A1 (0.45) | CYP1A1CYP1B1CYP1A2ALDH1A1KDM4E | |
| SCHEMBL24028404 | 0.88 | CYP1A1 (0.37) | CYP1A1CYP1B1CYP1A2ALDH1A1KDM4E | |
| SCHEMBL24028407 | 0.88 | MAPT (0.33) | CYP1A1CYP1B1ALOX5ALDH1A1KDM4E | |
| SCHEMBL24028939 | 0.88 | NQO2 (0.36) | CYP1A1CYP1B1CYP1A2ALOX5ALDH1A1 | |
| SCHEMBL24028443 | 0.87 | CYP1A1 (0.44) | CYP1A1CYP1B1CYP1A2ALDH1A1KDM4E | |
| SCHEMBL24028944 | 0.86 | S1PR5 (0.37) | CYP1A1CYP1B1CYP1A2ALOX5ALDH1A1 | |
| SCHEMBL24028495 | 0.86 | KDM4E (0.34) | CYP1A1CYP1B1ALOX5ALDH1A1KDM4E | |
| SCHEMBL24028418 | 0.85 | LIMK1 (0.32) | CYP1A1CYP1B1ALOX5ALDH1A1KDM4E | |
| SCHEMBL24028888 | 0.85 | CYP1A1 (0.41) | CYP1A1CYP1B1CYP1A2ALDH1A1KDM4E |
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-2021230654-A1 | NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME | 주식회사 엘지화학 | 2021-11-18 | — | — | WO | disclosed |