Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.55 |
| ▸ | TYMS | P04818 | 2/20 | 0.43 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | JAK2 | O60674 | 1/20 | 0.41 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.41 |
| ▸ | MELK | Q14680 | 1/20 | 0.41 |
| ▸ | STK24 | Q9Y6E0 | 1/20 | 0.41 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.41 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.41 |
| ▸ | CDK4 | P11802 | 5/20 | 0.41 |
| ▸ | CCND1 | P24385 | 5/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | CCNE2 | O96020 | 2/20 | 0.39 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.39 |
| ▸ | CDK2 | P24941 | 2/20 | 0.39 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL30032319 | 0.82 | CDK4 (0.53) | TYMSKDM4ERAB9ASIRT2SIRT1 | |
| SCHEMBL29363212 | 0.82 | CDK4 (0.53) | TYMSKDM4ERAB9ASIRT2SIRT1 | |
| SCHEMBL492860 | 0.82 | CDK4 (0.53) | TYMSKDM4ERAB9ASIRT2SIRT1 | |
| SCHEMBL669508 | 0.80 | PARP1 (0.70) | PARP1TYMSCHEK1KDM4ERAB9A | |
| SCHEMBL798414 | 0.79 | ALDH1A1 (0.52) | PARP1CHEK1KDM4ECDK4CCND1 | |
| SCHEMBL12219441 | 0.78 | CDK4 (0.50) | KDM4ERAB9ASIRT2SIRT1CDK4 | |
| SCHEMBL2325768 | 0.77 | PARP1 (0.47) | PARP1TYMSKDM4ECDK4CCND1 | |
| SCHEMBL12240743 | 0.76 | HPRT1 (0.54) | KDM4ERAB9ASIRT2SIRT1CDK4 | |
| SCHEMBL12219446 | 0.74 | CDK4 (0.56) | KDM4ERAB9ASIRT2SIRT1CDK4 | |
| SCHEMBL20427690 | 0.74 | HSD17B10 (0.52) | TYMSKDM4ERAB9ASIRT2SIRT1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012163934-A1 | AMINO-SUBSTITUTED-ALKYLOXY-BENZO[E]PYRIDO[4,3-B]INDOLE DERIVATIVES AS NEW POTENT KINASE INHIBITORS | INSTITUT CURIE (FR) | 2012-12-06 | — | — | WO | claimed |
| WO-2012163934-A1 | AMINO-SUBSTITUTED-ALKYLOXY-BENZO[E]PYRIDO[4,3-B]INDOLE DERIVATIVES AS NEW POTENT KINASE INHIBITORS | INSTITUT CURIE (FR) | 2012-12-06 | — | — | WO | disclosed |
| WO-2011131636-A1 | COMBINED TREATMENT OF CANCER WITH BENZO[E]PYRIDOINDOLES AND DNA-DAMAGING AGENTS | INSTITUT CURIE (FR) | 2011-10-27 | — | — | WO | disclosed |