Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RY6 | Q15077 | 1/20 | 0.33 |
| ▸ | CCNK | O75909 | 1/20 | 0.33 |
| ▸ | CDK12 | Q9NYV4 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.32 |
| ▸ | NOS3 | P29474 | 1/20 | 0.31 |
| ▸ | NOS1 | P29475 | 1/20 | 0.31 |
| ▸ | NOS2 | P35228 | 1/20 | 0.31 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.31 |
| ▸ | PARP1 | P09874 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | BACE1 | P56817 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL17708555 | 0.84 | ADORA2A (0.39) | P2RY6ADORA2ANOS3NOS1NOS2 | |
| SCHEMBL3992598 | 0.81 | CCR1 (0.47) | — | |
| SCHEMBL863223 | 0.75 | ADORA2A (0.42) | P2RY6ADORA2AKDM4CPARP1BACE1 | |
| SCHEMBL1170292 | 0.70 | AURKA (0.39) | KDM4CPARP1 | |
| SCHEMBL3986970 | 0.68 | PRKCI (0.49) | KDM4CKDM4ENPC1RAB9A | |
| SCHEMBL863178 | 0.68 | KDR (0.39) | P2RY6ADORA2ANPC1RAB9A | |
| SCHEMBL863311 | 0.67 | TGFBR1 (0.39) | ADORA2ANPC1RAB9A | |
| SCHEMBL3986893 | 0.67 | P2RY6 (0.34) | P2RY6 | |
| SCHEMBL22940779 | 0.66 | CCR1 (0.58) | ADORA2ANOS3NOS2KDM4CPARP1 | |
| SCHEMBL18508365 | 0.66 | TP53 (0.43) | NOS3NOS1NOS2KDM4ENPC1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2061785-A2 | LINEAR PYRIDAZINE AND PYRROLE COMPOUNDS, PROCESSES FOR OBTAINING THEM AND USES | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) | 2009-05-27 | — | — | EP | claimed |
| WO-2008012441-A2 | LINEAR PYRIDAZINE AND PYRROLE COMPOUNDS, PROCESSES FOR OBTAINING THEM AND USES | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) | 2008-01-31 | — | — | WO | claimed |
| EP-2061785-A2 | LINEAR PYRIDAZINE AND PYRROLE COMPOUNDS, PROCESSES FOR OBTAINING THEM AND USES | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) | 2009-05-27 | — | — | EP | disclosed |
| WO-2008012441-A2 | LINEAR PYRIDAZINE AND PYRROLE COMPOUNDS, PROCESSES FOR OBTAINING THEM AND USES | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) | 2008-01-31 | — | — | WO | disclosed |