Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 6/20 | 0.64 |
| ▸ | IP6K1 | Q92551 | 2/20 | 0.45 |
| ▸ | IP6K3 | Q96PC2 | 1/20 | 0.45 |
| ▸ | QPCT | Q16769 | 1/20 | 0.41 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.39 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.39 |
| ▸ | PIM1 | P11309 | 1/20 | 0.39 |
| ▸ | AKT1 | P31749 | 1/20 | 0.39 |
| ▸ | FLT3 | P36888 | 1/20 | 0.39 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.39 |
| ▸ | PPARG | P37231 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.38 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.38 |
| ▸ | TYMS | P04818 | 2/20 | 0.36 |
| ▸ | CCNC | P24863 | 1/20 | 0.36 |
| ▸ | CDK8 | P49336 | 1/20 | 0.36 |
| ▸ | USP10 | Q14694 | 1/20 | 0.36 |
| ▸ | PIK3C3 | Q8NEB9 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL27828038 | 0.78 | PIM1 (0.64) | PARP1QPCTCHEK1PIM1AKT1 | |
| SCHEMBL29709603 | 0.78 | PARP1 (1.00) | PARP1IP6K1IP6K3PDPK1CHEK1 | |
| SCHEMBL2191067 | 0.78 | PARP1 (1.00) | PARP1IP6K1IP6K3PDPK1CHEK1 | |
| Hydrochloric Acid SCHEMBL30141968 | 0.76 | PARP1 (0.96) | PARP1IP6K1IP6K3PDPK1CHEK1 | |
| SCHEMBL914338 | 0.72 | PDPK1 (0.59) | PARP1IP6K1IP6K3PDPK1PPARG | |
| SCHEMBL903277 | 0.72 | PRKCI (0.59) | PARP1QPCTPOLBHTTSMN1; SMN2 | |
| SCHEMBL21025330 | 0.70 | IP6K1 (0.40) | PARP1IP6K1IP6K3QPCTCHEK1 | |
| SCHEMBL13948932 | 0.69 | MAPT (0.48) | QPCTPPARGRAB9ANCOA2NCOA1 | |
| SCHEMBL903276 | 0.68 | PARP1 (0.52) | PARP1IP6K1IP6K3QPCTPDPK1 | |
| SCHEMBL6836398 | 0.68 | KDM4A (0.49) | PARP1IP6K1QPCTPDPK1CHEK1 |
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-5387585-A | Treating epilepsy, anxiety, sleep disorders, schizophrnia, senile dementia | HOFFMANN-LA ROCHE INC. (US) | 1995-02-07 | — | — | US | disclosed |