Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.68 |
| ▸ | HTT | P42858 | 2/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.52 |
| ▸ | POLB | P06746 | 2/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | ROCK2 | O75116 | 4/20 | 0.49 |
| ▸ | CCR2 | P41597 | 4/20 | 0.49 |
| ▸ | ROCK1 | Q13464 | 4/20 | 0.49 |
| ▸ | CNR2 | P34972 | 1/20 | 0.47 |
| ▸ | LTA4H | P09960 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL3722397 | 0.91 | ALDH1A1 (0.55) | ALDH1A1HTTROCK2CCR2ROCK1 | |
| SCHEMBL4976833 | 0.86 | ALDH1A1 (0.68) | ALDH1A1HTTKDM4EPOLBTSHR | |
| SCHEMBL3961183 | 0.82 | CHRM2 (0.50) | ALDH1A1HTTKDM4EPOLBROCK2 | |
| SCHEMBL1955800 | 0.82 | ALDH1A1 (0.71) | ALDH1A1HTTKDM4EPOLBTSHR | |
| SCHEMBL1552926 | 0.82 | ALDH1A1 (1.00) | ALDH1A1HTTKDM4EPOLBTSHR | |
| SCHEMBL1787570 | 0.82 | ALDH1A1 (1.00) | ALDH1A1HTTKDM4EPOLBTSHR | |
| SCHEMBL5205368 | 0.82 | ALDH1A1 (1.00) | ALDH1A1HTTKDM4EPOLBTSHR | |
| Methane SCHEMBL7287824 | 0.80 | ALDH1A1 (0.97) | ALDH1A1HTTKDM4EPOLBTSHR | |
| Hydrochloric Acid SCHEMBL5343928 | 0.80 | ALDH1A1 (0.97) | ALDH1A1HTTKDM4EPOLBTSHR | |
| SCHEMBL13242846 | 0.80 | PRMT6 (0.62) | ALDH1A1KDM4ESMN1; SMN2CYP2D6CYP2C19 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3740207-A1 | INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) | Syros Pharmaceuticals, Inc. (US) | 2020-11-25 | — | — | EP | disclosed |
| WO-2019143719-A1 | INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) | SYROS PHARMACEUTICALS, INC. (US) | 2019-07-25 | — | — | WO | disclosed |