Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 8/20 | 0.56 |
| ▸ | NOS3 | P29474 | 7/20 | 0.56 |
| ▸ | NOS1 | P29475 | 4/20 | 0.41 |
| ▸ | PRKCI | P41743 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.35 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.35 |
| ▸ | DHFR | P00374 | 1/20 | 0.34 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.33 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL14035774 | 0.83 | NOS2 (0.46) | NOS2NOS3NOS1PRKCIROCK1 | |
| SCHEMBL31032970 | 0.81 | NOS2 (0.54) | NOS2NOS3NOS1KDM4EMEN1 | |
| SCHEMBL23012667 | 0.81 | NOS2 (0.54) | NOS2NOS3NOS1KDM4EMEN1 | |
| SCHEMBL15528179 | 0.80 | NOS2 (0.49) | NOS2NOS3NOS1TLR8 | |
| SCHEMBL3264472 | 0.80 | NOS2 (0.52) | NOS2NOS3NOS1PRKCITLR8 | |
| SCHEMBL357771 | 0.78 | NOS2 (0.64) | NOS2NOS3NOS1PRKCITLR8 | |
| SCHEMBL26105660 | 0.78 | NOS2 (0.50) | NOS2NOS3NOS1KDM4EMEN1 | |
| SCHEMBL27804907 | 0.78 | NOS2 (0.50) | NOS2NOS3NOS1PRKCIKDM4E | |
| SCHEMBL21806239 | 0.77 | NOS2 (0.46) | NOS2NOS3KDM4EMEN1KMT2A | |
| SCHEMBL3801869 | 0.77 | NOS2 (0.38) | NOS2NOS3NOS1PDE3BPDE3A |
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 |
|---|---|---|---|---|---|---|---|
| CN-109563043-A | SUBSTITUTED PYRIDINES AS INHIBITORS OF DNMT1 | 葛兰素史密斯克莱知识产权发展有限公司 | 2019-04-02 | — | — | CN | disclosed |
| WO-2018057810-A1 | BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS | GILEAD SCIENCES, INC. (US) | 2018-03-29 | — | — | WO | disclosed |