Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 10/20 | 0.63 |
| ▸ | CYP2D6 | P10635 | 8/20 | 0.63 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.63 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.63 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.63 |
| ▸ | LMNA | P02545 | 4/20 | 0.63 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.63 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.63 |
| ▸ | TSHR | P16473 | 3/20 | 0.63 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.63 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.63 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.59 |
| ▸ | USP2 | O75604 | 2/20 | 0.59 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.58 |
| ▸ | RECQL | P46063 | 1/20 | 0.58 |
| ▸ | MAPT | P10636 | 5/20 | 0.54 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 5/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL1083916 | 0.85 | CYP1A2 (0.70) | CYP1A2CYP2D6CYP3A4CYP2C19HSD17B10 | |
| SCHEMBL17212417 | 0.82 | AURKA (0.52) | CYP1A2CYP2D6CYP3A4CYP2C19HSD17B10 | |
| SCHEMBL802193 | 0.80 | GSK3B (0.69) | LMNAMAPK1SMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL802007 | 0.80 | AURKA (0.69) | CYP1A2CYP3A4CYP2C19CYP2C9 | |
| SCHEMBL786507 | 0.80 | MAPT (0.48) | LMNAMAPK1SMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL14529444 | 0.78 | ACHE (0.49) | CYP1A2HSD17B10MAPK1TSHRSMN1; SMN2 | |
| SCHEMBL14474140 | 0.78 | LMNA (0.45) | CYP1A2CYP2D6CYP3A4CYP2C19HSD17B10 | |
| SCHEMBL1083778 | 0.78 | CYP2D6 (0.63) | CYP1A2CYP2D6CYP3A4CYP2C19HSD17B10 | |
| SCHEMBL16038390 | 0.76 | SMN1; SMN2 (0.45) | HSD17B10LMNASMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL1084266 | 0.76 | MEN1 (0.53) | CYP1A2CYP2D6CYP3A4CYP2C19HSD17B10 |
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-2008157500-A1 | AMINOQUINAZOLINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE | KALYPSYS, INC. (US) | 2008-12-24 | — | — | WO | disclosed |