Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 9/20 | 0.62 |
| ▸ | KDR | P35968 | 5/20 | 0.58 |
| ▸ | HRH3 | Q9Y5N1 | 6/20 | 0.54 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.54 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.54 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.54 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.54 |
| ▸ | DRD2 | P14416 | 1/20 | 0.52 |
| ▸ | DRD3 | P35462 | 1/20 | 0.52 |
| ▸ | BACE1 | P56817 | 1/20 | 0.49 |
| ▸ | RET | P07949 | 1/20 | 0.49 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.49 |
| ▸ | CDK2 | P24941 | 1/20 | 0.49 |
| ▸ | MARK3 | P27448 | 1/20 | 0.49 |
| ▸ | FLT4 | P35916 | 1/20 | 0.49 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.49 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.49 |
| ▸ | CAMK2G | Q13555 | 1/20 | 0.49 |
| ▸ | CAMK2D | Q13557 | 1/20 | 0.49 |
| ▸ | MELK | Q14680 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL7147015 | 0.95 | KDR (0.59) | CHEK1KDRHRH3ADORA1ADORA2A | |
| SCHEMBL7702402 | 0.94 | KDR (0.63) | CHEK1KDRHRH3ADORA1ADORA2A | |
| SCHEMBL7700924 | 0.93 | KDR (0.67) | CHEK1KDRRETPDGFRACDK2 | |
| SCHEMBL7702307 | 0.92 | KDR (0.54) | CHEK1KDRHRH3ADORA1ADORA2A | |
| SCHEMBL7702517 | 0.91 | KDR (0.57) | CHEK1KDRRETPDGFRACDK2 | |
| SCHEMBL7703429 | 0.91 | CHEK1 (0.63) | CHEK1KDRRETPDGFRACDK2 | |
| SCHEMBL7140591 | 0.89 | KDR (0.64) | CHEK1KDRBACE1RETMARK3 | |
| SCHEMBL7147004 | 0.88 | KDR (0.68) | CHEK1KDRRETPDGFRACDK2 | |
| SCHEMBL7703072 | 0.87 | KDR (0.55) | CHEK1KDRBACE1RETMARK3 | |
| SCHEMBL7172093 | 0.86 | KDR (0.58) | CHEK1KDRRETPDGFRACDK2 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |