Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR4A2 | P43354 | 2/20 | 0.52 |
| ▸ | NCF1 | P14598 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | CASP1 | P29466 | 1/20 | 0.48 |
| ▸ | CASP7 | P55210 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.46 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.45 |
| ▸ | TERT | O14746 | 2/20 | 0.44 |
| ▸ | GNG2 | P59768 | 2/20 | 0.43 |
| ▸ | GNB1 | P62873 | 2/20 | 0.43 |
| ▸ | MMP1 | P03956 | 1/20 | 0.43 |
| ▸ | MMP9 | P14780 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28294626 | 0.81 | APP (0.48) | KDM4ECYP3A4CYP2C19HIF1AAPP | |
| SCHEMBL8242755 | 0.80 | ALDH1A1 (0.49) | NR4A2NCF1ALDH1A1CASP1CASP7 | |
| SCHEMBL440491 | 0.79 | NR4A2 (0.74) | NR4A2NCF1ALDH1A1CASP1CASP7 | |
| SCHEMBL13039504 | 0.78 | ALDH1A1 (0.50) | NR4A2NCF1ALDH1A1CASP1CASP7 | |
| SCHEMBL28957472 | 0.78 | NR4A2 (0.62) | NR4A2NCF1APP | |
| SCHEMBL439542 | 0.76 | ALDH1A1 (0.58) | NR4A2NCF1ALDH1A1CASP1CASP7 | |
| SCHEMBL3300276 | 0.70 | PNMT (0.65) | CYP3A4 | |
| SCHEMBL18586524 | 0.70 | MPO (0.55) | CYP3A4KMT2AMEN1USP2 | |
| SCHEMBL438119 | 0.70 | NR4A2 (1.00) | NR4A2NCF1ALDH1A1CASP1CASP7 | |
| SCHEMBL21384185 | 0.69 | TAAR1 (0.57) | ALDH1A1CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109641886-A | bicyclic BET bromodomain inhibitors and uses thereof | 康威基内有限公司 | 2019-04-16 | — | — | CN | disclosed |