Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | NOS1 | P29475 | 1/20 | 0.33 |
| ▸ | PDGFRB | P09619 | 3/20 | 0.32 |
| ▸ | PDGFRA | P16234 | 3/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | HPGDS | O60760 | 1/20 | 0.30 |
| ▸ | EGFR | P00533 | 1/20 | 0.30 |
| ▸ | PARP1 | P09874 | 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 | |
|---|---|---|---|---|
| SCHEMBL18848507 | 0.81 | ESR2 (0.41) | ESR2NOS1PDGFRBPDGFRACYP1A2 | |
| SCHEMBL14910332 | 0.76 | ESR2 (0.38) | ESR2NOS1PDGFRBPDGFRACYP1A2 | |
| SCHEMBL3353059 | 0.76 | HTT (0.54) | EGFR | |
| SCHEMBL8268402 | 0.76 | CYP1A2 (0.57) | ESR2NOS1PDGFRBPDGFRACYP1A2 | |
| SCHEMBL8169341 | 0.72 | CYP1A2 (0.57) | PDGFRBPDGFRACYP1A2EGFR | |
| SCHEMBL21063895 | 0.71 | MGAM (0.62) | ESR2PDGFRBPDGFRACYP1A2HPGDS | |
| SCHEMBL18618545 | 0.69 | EGFR (0.60) | NOS1EGFR | |
| SCHEMBL3367818 | 0.69 | ALDH1A1 (0.50) | NOS1PDGFRBPDGFRA | |
| SCHEMBL11412958 | 0.69 | NOS1 (0.35) | NOS1 | |
| SCHEMBL23190280 | 0.67 | NOS1 (0.35) | NOS1PARP1 |
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 |