Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGDS | O60760 | 1/20 | 0.51 |
| ▸ | KMO | O15229 | 2/20 | 0.45 |
| ▸ | CDC7 | O00311 | 1/20 | 0.43 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.42 |
| ▸ | FYN | P06241 | 1/20 | 0.41 |
| ▸ | MAP4K4 | O95819 | 4/20 | 0.41 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.41 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | ATR | Q13535 | 1/20 | 0.40 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.40 |
| ▸ | CCND1 | P24385 | 1/20 | 0.40 |
| ▸ | CCNC | P24863 | 1/20 | 0.40 |
| ▸ | CDK8 | P49336 | 1/20 | 0.40 |
| ▸ | CDK7 | P50613 | 1/20 | 0.40 |
| ▸ | CDK9 | P50750 | 1/20 | 0.40 |
| ▸ | CCNH | P51946 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28046616 | 0.85 | PARP1 (0.47) | CDC7KDM4EPARP1ROCK2ROCK1 | |
| SCHEMBL28046612 | 0.84 | DHODH (0.46) | KMOCDC7NUDT1PIN1SLC9A1 | |
| SCHEMBL28046684 | 0.83 | KMO (0.44) | KMONUDT1MEN1MAPTKMT2A | |
| SCHEMBL28046666 | 0.81 | ROCK2 (0.56) | CDC7MAPTPARP1ROCK2ROCK1 | |
| SCHEMBL28046677 | 0.77 | ALPL (0.45) | MAPTCCNCCDK8ROCK2ROCK1 | |
| SCHEMBL28046615 | 0.77 | PARP1 (0.49) | CDC7NUDT1SLC9A1ATRPARP1 | |
| SCHEMBL28046667 | 0.77 | KMO (0.42) | KMONUDT1KDM4EMEN1MAPT | |
| SCHEMBL28046609 | 0.77 | CASP1 (0.43) | CDC7NUDT1ROCK2ROCK1CHEK2 | |
| SCHEMBL28046664 | 0.77 | MAP4K4 (0.46) | KMONUDT1MAP4K4MAPTCCNC | |
| SCHEMBL28046611 | 0.75 | MAPT (0.54) | SLC9A1KDM4EMEN1MAPTKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-105294688-A | 6-chlorine-N-(substituted benzyl)-1H-pyrrolo[2,3-b]pyridine-2-amide compound and preparation method as well as application thereof | UNIV BEIJING TECHNOLOGY | 2016-02-03 | — | — | CN | disclosed |