Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.48 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.38 |
| ▸ | LSS | P48449 | 2/20 | 0.37 |
| ▸ | CCR2 | P41597 | 1/20 | 0.37 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | NOS1 | P29475 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 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 | |
|---|---|---|---|---|
| SCHEMBL34461937 | 0.98 | CYP1A2 (0.47) | CYP1A2ALOX5LSSCCR2EPHX1 | |
| SCHEMBL29024557 | 0.94 | CYP1A2 (0.56) | CYP1A2ALOX5LSSCCR2HTT | |
| SCHEMBL10451380 | 0.92 | CYP1A2 (0.50) | CYP1A2ALOX5LSSCCR2EPHX1 | |
| SCHEMBL10450454 | 0.92 | CYP1A2 (0.50) | CYP1A2ALOX5LSSCCR2EPHX1 | |
| SCHEMBL10451379 | 0.92 | CYP1A2 (0.50) | CYP1A2ALOX5LSSCCR2EPHX1 | |
| SCHEMBL10450453 | 0.92 | CYP1A2 (0.50) | CYP1A2ALOX5LSSCCR2EPHX1 | |
| SCHEMBL11028916 | 0.92 | CYP1A2 (0.54) | CYP1A2ALOX5LSSCCR2EPHX1 | |
| SCHEMBL11064206 | 0.92 | CYP1A2 (0.44) | CYP1A2ALOX5LSSCCR2EPHX1 | |
| SCHEMBL11064203 | 0.92 | CYP1A2 (0.44) | CYP1A2ALOX5LSSCCR2EPHX1 | |
| SCHEMBL10449453 | 0.91 | CYP1A2 (0.53) | CYP1A2LSSCCR2EPHX1PKM |
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 |
|---|---|---|---|---|---|---|---|
| US-4462923-A | Disubstituted pyrimidines | HOFFMANN-LA ROCHE INC. (US) | 1984-07-31 | — | — | US | disclosed |