Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 5/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA6 | P23280 | 1/20 | 0.44 |
| ▸ | CA5A | P35218 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.44 |
| ▸ | PDGFRB | P09619 | 2/20 | 0.43 |
| ▸ | PDGFRA | P16234 | 2/20 | 0.43 |
| ▸ | CCR1 | P32246 | 1/20 | 0.43 |
| ▸ | CCR5 | P51681 | 1/20 | 0.43 |
| ▸ | CCR8 | P51685 | 1/20 | 0.43 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.43 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.43 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.43 |
| ▸ | NCF1 | P14598 | 3/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6033827 | 0.80 | HPGDS (0.61) | CYP1A2PDGFRBPDGFRACCR1CCR5 | |
| SCHEMBL12431874 | 0.79 | CYP2A6 (0.52) | CYP1A2CA12CA1CA2CA6 | |
| Ammonia Solution, Strong SCHEMBL27919201 | 0.78 | CYP2A6 (0.50) | CYP1A2CA12CA1CA2CA6 | |
| SCHEMBL22325684 | 0.76 | CA12 (0.59) | CA12CA1CA2CA6CA5A | |
| SCHEMBL7880640 | 0.76 | NPC1 (0.44) | CA12CA1CA2CA6CA7 | |
| SCHEMBL11014643 | 0.76 | CYP2A6 (0.52) | CYP1A2CA12CA1CA2CA6 | |
| SCHEMBL9180940 | 0.75 | CYP3A4 (0.60) | CYP1A2CA12CA1CA2CA6 | |
| Ammonia Solution, Strong SCHEMBL27937862 | 0.75 | CYP2A6 (0.50) | CYP1A2CA12CA1CA2CA6 | |
| SCHEMBL13586988 | 0.74 | HPGDS (0.47) | CYP1A2MAOBPDGFRBPDGFRACCR1 | |
| Hydrochloric Acid SCHEMBL27881706 | 0.73 | GPBAR1 (0.58) | CA12CA1CA2CA6CA5A |
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 |