Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 12/20 | 0.66 |
| ▸ | PARP1 | P09874 | 1/20 | 0.58 |
| ▸ | HPGD | P15428 | 1/20 | 0.55 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.55 |
| ▸ | HTT | P42858 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | KDR | P35968 | 2/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | TERT | O14746 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL7091559 | 0.92 | CHEK1 (0.59) | CHEK1PARP1HPGDLMNAKDR | |
| SCHEMBL6996897 | 0.89 | CHEK1 (0.65) | CHEK1PARP1LMNACYP2C19KDR | |
| SCHEMBL7001515 | 0.84 | KDR (0.63) | CHEK1PARP1LMNAKDR | |
| Hydrochloric Acid SCHEMBL7167396 | 0.84 | CHEK1 (0.63) | CHEK1KDR | |
| SCHEMBL7698785 | 0.84 | CHEK1 (0.60) | CHEK1PARP1KDR | |
| SCHEMBL7002932 | 0.83 | CHEK1 (0.58) | CHEK1PARP1LMNAKDR | |
| SCHEMBL4818061 | 0.83 | CHEK1 (0.68) | CHEK1KDR | |
| SCHEMBL7004215 | 0.83 | CHEK1 (0.57) | CHEK1PARP1HPGDKDR | |
| SCHEMBL7698823 | 0.82 | CHEK1 (0.60) | CHEK1PARP1KDR | |
| SCHEMBL7093948 | 0.82 | CHEK1 (0.56) | CHEK1PARP1KDR |
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 3 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 |