Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 17/20 | 0.64 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.53 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | ACHE | P22303 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | BLM | P54132 | 1/20 | 0.52 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.52 |
| ▸ | SGK1 | O00141 | 2/20 | 0.51 |
| ▸ | AKT1 | P31749 | 2/20 | 0.51 |
| ▸ | AKT2 | P31751 | 2/20 | 0.51 |
| ▸ | AKT3 | Q9Y243 | 2/20 | 0.51 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.51 |
| ▸ | PRKCG | P05129 | 1/20 | 0.51 |
| ▸ | MARK2 | Q7KZI7 | 1/20 | 0.51 |
| ▸ | AURKA | O14965 | 1/20 | 0.47 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL7003316 | 0.87 | CHEK1 (0.61) | CHEK1LMNASLC22A2SLC22A1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL7095328 | 0.86 | CHEK1 (0.60) | CHEK1LMNASLC22A2SLC22A1ALDH1A1 | |
| SCHEMBL7094461 | 0.82 | CHEK1 (0.56) | CHEK1MAPK1SGK1AKT1AKT2 | |
| SCHEMBL7092549 | 0.81 | CHEK1 (0.60) | CHEK1SGK1AKT1AKT2AKT3 | |
| SCHEMBL6789980 | 0.78 | CHEK1 (1.00) | CHEK1SGK1AKT1AKT2AKT3 | |
| SCHEMBL7696820 | 0.78 | CHEK1 (0.73) | CHEK1SGK1AKT1AKT2AKT3 | |
| SCHEMBL7093639 | 0.76 | CHEK1 (0.52) | CHEK1ALDH1A1 | |
| SCHEMBL7089380 | 0.76 | CHEK1 (0.56) | CHEK1SGK1AKT1AKT2AKT3 | |
| SCHEMBL6788908 | 0.75 | CHEK1 (0.69) | CHEK1 | |
| SCHEMBL6998055 | 0.75 | CHEK1 (0.60) | CHEK1ALDH1A1SGK1AKT1AKT2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1127051-A2 | TRICYCLIC PYRAZOLE DERIVATIVES | BASF AKTIENGESELLSCHAFT (DE) | 2001-08-29 | — | — | EP | claimed |
| WO-2000027822-A2 | TRICYCLIC PYRAZOLE DERIVATIVES | BASF AKTIENGESELLSCHAFT (DE) | 2000-05-18 | — | — | WO | claimed |
| 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 |
| EP-1127051-A2 | TRICYCLIC PYRAZOLE DERIVATIVES | BASF AKTIENGESELLSCHAFT (DE) | 2001-08-29 | — | — | EP | disclosed |
| WO-2000027822-A2 | TRICYCLIC PYRAZOLE DERIVATIVES | BASF AKTIENGESELLSCHAFT (DE) | 2000-05-18 | — | — | WO | disclosed |