Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | CCNK | O75909 | 1/20 | 0.37 |
| ▸ | CDK12 | Q9NYV4 | 1/20 | 0.37 |
| ▸ | DRD4 | P21917 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.36 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | NR2F2 | P24468 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL26889252 | 0.87 | HTT (0.43) | SMN1; SMN2ALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL26889111 | 0.82 | CCNK (0.40) | CCNKCDK12MEN1KMT2AHSP90AA1 | |
| SCHEMBL26889215 | 0.82 | HTT (0.45) | SMN1; SMN2ALDH1A1CCNKCDK12KDM4E | |
| SCHEMBL26889291 | 0.80 | CCNK (0.50) | CCNKCDK12AURKAAURKB | |
| SCHEMBL26889243 | 0.77 | CCNK (0.57) | CCNKCDK12HRH4AURKAAURKB | |
| SCHEMBL26686573 | 0.75 | DYRK1A (0.45) | CCNKCDK12MAPK1KDRWNT1 | |
| SCHEMBL26686875 | 0.74 | SMN1; SMN2 (0.41) | SMN1; SMN2ALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL26889101 | 0.72 | AXL (0.40) | ALDH1A1CYP1A2CYP2C9CYP2C19CCNK | |
| SCHEMBL3415919 | 0.71 | AXL (0.44) | CCNKCDK12AURKAAURKB | |
| SCHEMBL30571033 | 0.71 | AXL (0.44) | CCNKCDK12AURKAAURKB |
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-2023218201-A1 | IKK INHIBITORS | CANCER RESEARCH TECHNOLOGY LIMITED (GB) | 2023-11-16 | — | — | WO | disclosed |