Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | NOS3 | P29474 | 1/20 | 0.32 |
| ▸ | NOS1 | P29475 | 1/20 | 0.32 |
| ▸ | NOS2 | P35228 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL25198432 | 0.82 | NOS2 (0.37) | KDM4EMEN1ALDH1A1KMT2ANOS3 | |
| SCHEMBL22165795 | 0.78 | NOS3 (0.48) | KDM4EMEN1ALDH1A1LMNAKMT2A | |
| SCHEMBL5592987 | 0.73 | NOS3 (0.36) | KDM4EMEN1ALDH1A1LMNAKMT2A | |
| SCHEMBL25194211 | 0.73 | DHFR (0.36) | NOS3NOS1NOS2 | |
| SCHEMBL30402750 | 0.73 | DHFR (0.36) | NOS3NOS1NOS2 | |
| SCHEMBL28834458 | 0.72 | HCAR2 (0.41) | KDM4EMEN1ALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL16720841 | 0.71 | CYP4F2 (0.47) | ALDH1A1LMNACYP1A2 | |
| SCHEMBL29791398 | 0.69 | — | — | |
| SCHEMBL3936011 | 0.69 | — | — | |
| SCHEMBL30154986 | 0.68 | — | — |
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-2012002577-A1 | NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF | 富士フイルム株式会社 (JP) | 2012-01-05 | — | — | WO | disclosed |