Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 6/20 | 0.57 |
| ▸ | KDR | P35968 | 2/20 | 0.56 |
| ▸ | CDK1 | P06493 | 1/20 | 0.53 |
| ▸ | CDK2 | P24941 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.45 |
| ▸ | HTT | P42858 | 3/20 | 0.45 |
| ▸ | NPC1 | O15118 | 3/20 | 0.45 |
| ▸ | RAB9A | P51151 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 4/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | PTPRC | P08575 | 2/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.43 |
| ▸ | RELA | Q04206 | 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 | |
|---|---|---|---|---|
| SCHEMBL7702848 | 0.93 | CHEK1 (0.54) | CHEK1KDRCDK1CDK2MEN1 | |
| SCHEMBL7702867 | 0.90 | CHEK1 (0.53) | CHEK1KDRCDK1CDK2TDP1 | |
| SCHEMBL7700585 | 0.90 | CHEK1 (0.53) | CHEK1KDRCDK1CDK2LMNA | |
| SCHEMBL6998221 | 0.88 | NPC1 (0.52) | CHEK1KDRMEN1KMT2ATDP1 | |
| SCHEMBL7696243 | 0.85 | CHEK1 (0.57) | CHEK1KDRCDK1CDK2MEN1 | |
| SCHEMBL7094928 | 0.85 | KDR (0.64) | CHEK1KDRCDK1CDK2MEN1 | |
| SCHEMBL7091231 | 0.84 | CHEK1 (0.56) | CHEK1KDRCDK1CDK2 | |
| Water SCHEMBL7089950 | 0.84 | KDR (0.63) | CHEK1KDRCDK1CDK2MEN1 | |
| SCHEMBL7705309 | 0.83 | KDR (0.69) | CHEK1KDRCDK1CDK2NPC1 | |
| SCHEMBL7093397 | 0.83 | CHEK1 (0.54) | CHEK1KDRCDK1CDK2MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6462036-B1 | INHIBITING SIGNAL TRANSDUCTION BY MODULATING ACTIVITY OF RECEPTOR AND NONRECEPTOR TYROSINE AND SERINE/THREONINE KINASES TO REGULATE AND MODULATE ABNORMAL OR INAPPROPRIATE CELL PROLIFERATION, DIFFERENTIATION, OR METABOLISM | BASF AKTIENGESELLSCHAFT (DE) | 2002-10-08 | — | — | US | disclosed |