Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | CACNA1H | O95180 | 3/20 | 0.43 |
| ▸ | CACNA1G | O43497 | 2/20 | 0.43 |
| ▸ | CACNA1I | Q9P0X4 | 2/20 | 0.43 |
| ▸ | GPR39 | O43194 | 1/20 | 0.42 |
| ▸ | AADAT | Q8N5Z0 | 1/20 | 0.39 |
| ▸ | ABL1 | P00519 | 2/20 | 0.39 |
| ▸ | BCR | P11274 | 2/20 | 0.39 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.38 |
| ▸ | TEAD1 | P28347 | 1/20 | 0.38 |
| ▸ | VNN1 | O95497 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
| ▸ | PPARD | Q03181 | 1/20 | 0.38 |
| ▸ | PPARA | Q07869 | 1/20 | 0.38 |
| ▸ | BRD4 | O60885 | 1/20 | 0.38 |
| ▸ | MBOAT4 | Q96T53 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL22737100 | 0.78 | HDAC1 (0.50) | HDAC1HDAC6ALDH1A1TSHRCACNA1H | |
| SCHEMBL21492990 | 0.77 | HDAC1 (0.43) | HDAC1HDAC6ALDH1A1TSHRCACNA1H | |
| SCHEMBL17132895 | 0.76 | ALDH1A1 (0.48) | HDAC1HDAC6ALDH1A1HTR2CSLC6A4 | |
| SCHEMBL22737096 | 0.76 | CACNA1H (0.46) | HDAC1HDAC6ALDH1A1TSHRCACNA1H | |
| SCHEMBL31272703 | 0.73 | MAPT (0.38) | HDAC1HDAC6ALDH1A1CACNA1HCACNA1G | |
| SCHEMBL24310644 | 0.73 | HDAC1 (0.45) | HDAC1HDAC6ALDH1A1TSHRCACNA1H | |
| Hydrochloric Acid SCHEMBL28525601 | 0.72 | KLKB1 (0.46) | ALDH1A1TSHRCACNA1HCACNA1GCACNA1I | |
| SCHEMBL3319305 | 0.71 | CYP19A1 (0.57) | HDAC1HDAC6ALDH1A1TSHRCACNA1H | |
| SCHEMBL28530827 | 0.70 | CACNA1G (0.43) | HDAC1HDAC6TSHRCACNA1HCACNA1G | |
| SCHEMBL8641487 | 0.69 | CACNA1H (0.52) | HDAC1HDAC6ALDH1A1TSHRCACNA1H |
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-112218865-A | Pteridinone compounds and uses thereof | 沃泰克斯药物股份有限公司 | 2021-01-12 | — | — | CN | disclosed |