Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AGXT | P21549 | 2/20 | 0.60 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.50 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | IDO1 | P14902 | 1/20 | 0.42 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3161372 | 0.85 | AGXT (0.64) | AGXTKCNH2CYP1A2CYP2A6TAAR1 | |
| SCHEMBL9617939 | 0.85 | AGXT (0.64) | AGXTKCNH2CYP1A2CYP2A6TAAR1 | |
| SCHEMBL586154 | 0.82 | AGXT (0.61) | AGXTKCNH2CYP1A2CYP2A6TAAR1 | |
| Lithium SCHEMBL585057 | 0.82 | AGXT (0.61) | AGXTKCNH2CYP1A2CYP2A6TAAR1 | |
| Potassium SCHEMBL586332 | 0.82 | AGXT (0.61) | AGXTKCNH2CYP1A2CYP2A6TAAR1 | |
| SCHEMBL21518158 | 0.82 | AGXT (0.56) | AGXTKCNH2CYP1A2CYP2A6TAAR1 | |
| SCHEMBL12270447 | 0.80 | AGXT (0.58) | AGXTKCNH2CYP1A2CYP2A6TAAR1 | |
| SCHEMBL9861794 | 0.80 | AGXT (0.58) | AGXTKCNH2CYP1A2CYP2A6TAAR1 | |
| SCHEMBL16682540 | 0.79 | AGXT (0.52) | AGXTKCNH2CYP1A2CYP2A6TAAR1 | |
| SCHEMBL15275219 | 0.78 | IDO1 (0.58) | TAAR1CA1CA2CA9RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| EP-2562163-A1 | 5-FLUORO PYRIMIDINE DERIVATIVES AS FUNGICIDES | Dow AgroSciences LLC (US) | 2013-02-27 | — | — | EP | disclosed |