Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL21899485 | 0.83 | CYP3A4 (0.50) | CYP1A2CYP3A4CYP2C9CYP2C19MAP2K1 | |
| SCHEMBL16958520 | 0.76 | ALDH1A1 (0.35) | MAP2K1HTTALDH1A1TSHR | |
| SCHEMBL8150226 | 0.74 | LMNA (0.38) | HTTALDH1A1TSHR | |
| SCHEMBL2418536 | 0.74 | ALDH1A1 (0.34) | CYP1A2CYP3A4CYP2C9CYP2C19MAP2K1 | |
| SCHEMBL30536365 | 0.73 | TSHR (0.44) | CYP1A2CYP3A4CYP2C9CYP2C19HTT | |
| SCHEMBL183840 | 0.73 | TSHR (0.44) | CYP1A2CYP3A4CYP2C9CYP2C19HTT | |
| SCHEMBL28232787 | 0.72 | ESR2 (0.40) | CYP1A2CYP2C9CYP2C19ALDH1A1MEN1 | |
| SCHEMBL60842 | 0.72 | SMN1; SMN2 (0.37) | HTTALDH1A1TSHRMEN1KMT2A | |
| Benzene SCHEMBL28861778 | 0.71 | TSHR (0.43) | CYP1A2CYP3A4CYP2C9CYP2C19HTT | |
| SCHEMBL16954087 | 0.71 | ALDH1A1 (0.34) | HTTALDH1A1TSHR |
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-3490023-A1 | COMPOSITION, THIN FILM INCLUDING THE COMPOSITION, AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE THIN FILM | Samsung Electronics Co., Ltd. (KR) | 2019-05-29 | — | — | EP | disclosed |