Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | BACE1 | P56817 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | TYMS | P04818 | 1/20 | 0.31 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | AR | P10275 | 1/20 | 0.31 |
| ▸ | AHR | P35869 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | ACHE | P22303 | 2/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
| ▸ | CASP3 | P42574 | 1/20 | 0.30 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.30 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.30 |
| ▸ | SENP6 | Q9GZR1 | 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 | |
|---|---|---|---|---|
| SCHEMBL558134 | 0.74 | CYP1A2 (0.43) | CYP1A2CYP2A6NPC1RAB9AACHE | |
| SCHEMBL209074 | 0.68 | BACE1 (0.38) | CYP1A2CYP2A6BACE1AHRNPC1 | |
| SCHEMBL4754071 | 0.65 | KDM4E (0.40) | CYP1A2CYP2A6BACE1HTTTYMS | |
| SCHEMBL1090860 | 0.64 | KDM4E (0.35) | CYP1A2BACE1TYMSKMT2AL3MBTL1 | |
| SCHEMBL14970162 | 0.64 | MPO (0.42) | CYP1A2CYP2A6BACE1HTTTYMS | |
| SCHEMBL8160185 | 0.64 | CYP1A2 (0.57) | CYP1A2CYP2A6BACE1L3MBTL1CASP3 | |
| SCHEMBL2320872 | 0.64 | CYP1A2 (0.57) | CYP1A2CYP2A6BACE1L3MBTL1CASP3 | |
| SCHEMBL5828010 | 0.63 | CYP1A2 (0.44) | CYP1A2CYP2A6BACE1AHRL3MBTL1 | |
| SCHEMBL1193454 | 0.63 | CYP1A2 (0.61) | CYP1A2 | |
| SCHEMBL30081474 | 0.63 | CYP1A2 (0.61) | CYP1A2 |
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-2006090272-A1 | ISOQUINOLINE [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR TREATMENT OF SCHIZOPHRENIA | WARNER-LAMBERT COMPANY LLC (US) | 2006-08-31 | — | — | WO | disclosed |