Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NNMT | P40261 | 3/20 | 0.51 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.43 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.38 |
| ▸ | MTOR | P42345 | 1/20 | 0.38 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.38 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL31663020 | 1.00 | NNMT (0.51) | NNMTSIRT6PIK3CAMTORMKNK1 | |
| SCHEMBL17888603 | 0.86 | NNMT (0.56) | NNMTSIRT6PIK3CAMTORMKNK1 | |
| SCHEMBL29589415 | 0.86 | NNMT (0.51) | NNMTSIRT6MKNK1MKNK2MEN1 | |
| SCHEMBL2002960 | 0.86 | NNMT (0.51) | NNMTSIRT6MKNK1MKNK2MEN1 | |
| SCHEMBL31693169 | 0.86 | NNMT (0.65) | NNMTSIRT6MKNK1MKNK2MEN1 | |
| SCHEMBL15359911 | 0.84 | KDM4E (0.54) | NNMTSIRT6MEN1KMT2AKDM4E | |
| SCHEMBL31582715 | 0.84 | KDM4E (0.54) | NNMTSIRT6MEN1KMT2AKDM4E | |
| Hydrochloric Acid SCHEMBL20771312 | 0.83 | KDM4E (0.53) | NNMTSIRT6MEN1KMT2AKDM4E | |
| SCHEMBL16701908 | 0.79 | NNMT (0.47) | NNMTSIRT6MKNK1MKNK2HTT | |
| SCHEMBL25082752 | 0.78 | SMN1; SMN2 (0.36) | NNMTHTTMEN1KMT2AKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018013774-A1 | BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2018-01-18 | — | — | WO | disclosed |