Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 2/20 | 0.46 |
| ▸ | CHEK2 | O96017 | 2/20 | 0.45 |
| ▸ | AURKA | O14965 | 1/20 | 0.43 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.43 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.43 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.43 |
| ▸ | PNP | P00491 | 1/20 | 0.42 |
| ▸ | CDK9 | P50750 | 1/20 | 0.41 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.41 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7363580 | 0.85 | RAB9A (0.60) | PARP1CDK9DYRK1ANPC1RAB9A | |
| SCHEMBL7363561 | 0.79 | PLK4 (0.42) | PARP1AURKANPC1RAB9ASMN1; SMN2 | |
| SCHEMBL403922 | 0.77 | POLB (0.49) | CDK9DYRK1APOLBSMN1; SMN2LMNA | |
| SCHEMBL8648025 | 0.77 | PARP1 (0.67) | PARP1CHEK2CDK9DYRK1A | |
| SCHEMBL4235282 | 0.77 | HPGD (0.58) | NPC1LMNAHTTMEN1MAPT | |
| SCHEMBL14347043 | 0.77 | DDAH1 (0.46) | PARP1AURKAMAPK1ALOX15HSD17B10 | |
| SCHEMBL11480595 | 0.76 | CHEK2 (0.46) | PARP1CHEK2PARP14PARP10PNP | |
| SCHEMBL28348830 | 0.76 | HPGD (0.50) | AURKARPS6KB1PARP14PARP10NPC1 | |
| SCHEMBL7369651 | 0.75 | RAB9A (0.56) | PARP1POLBNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL15540355 | 0.75 | HPGD (0.53) | AURKARPS6KB1PARP14PARP10SMN1; SMN2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2125753-A1 | FUSED HETEROCYCLIC COMPOUNDS HAVING CRF ANTAGONISTIC ACTIVITY | Takeda Pharmaceutical Company Limited (JP) | 2009-12-02 | — | — | EP | disclosed |
| WO-2008082003-A1 | FUSED HETEROCYCLIC COMPOUNDS HAVING CRF ANTAGONISTIC ACTIVITY | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-07-10 | — | — | WO | disclosed |