Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | APP | P05067 | 6/20 | 0.48 |
| ▸ | METAP2 | P50579 | 1/20 | 0.45 |
| ▸ | METAP1 | P53582 | 1/20 | 0.45 |
| ▸ | BCHE | P06276 | 4/20 | 0.45 |
| ▸ | ACHE | P22303 | 4/20 | 0.45 |
| ▸ | SLC29A1 | Q99808 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | TMIGD3 | P0DMS9 | 2/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.43 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL18488676 | 0.85 | TAAR1 (0.46) | HTTNPC1RAB9ALMNATAAR1 | |
| SCHEMBL24255306 | 0.83 | APP (0.50) | CYP2D6CYP2C19CYP1A2CYP3A4APP | |
| SCHEMBL18488975 | 0.83 | PGK1 (0.48) | CYP2C19CYP1A2APPMAPK1HTT | |
| SCHEMBL18488360 | 0.82 | APP (0.60) | CYP2D6CYP2C19CYP1A2CYP3A4APP | |
| SCHEMBL29555879 | 0.82 | APP (0.60) | CYP2D6CYP2C19CYP1A2CYP3A4APP | |
| SCHEMBL18488334 | 0.77 | GPR84 (0.42) | TAAR1STK17BSTK17A | |
| SCHEMBL18488674 | 0.75 | CTSC (0.48) | CYP2D6CYP2C19CYP1A2TP53MAPT | |
| SCHEMBL18488673 | 0.74 | APP (0.50) | CYP2D6CYP2C19CYP1A2CYP3A4APP | |
| SCHEMBL21460559 | 0.71 | APP (0.57) | CYP2D6CYP2C19CYP1A2CYP3A4APP | |
| SCHEMBL11103596 | 0.71 | HTT (0.55) | APPSLC29A1MAPTTMIGD3ADORA2A |
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-2017023899-A1 | INHIBITORS OF ACK1/TNK2 TYROSINE KINASE | H. LEE MOFFITT CANCER CENTER & RESEARCH INSTITUTE (US) | 2017-02-09 | — | — | WO | disclosed |