Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.35 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.34 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.34 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | CCR1 | P32246 | 1/20 | 0.33 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.33 |
| ▸ | TACR3 | P29371 | 1/20 | 0.33 |
| ▸ | TLR8 | Q9NR97 | 2/20 | 0.33 |
| ▸ | CTSK | P43235 | 2/20 | 0.33 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.33 |
| ▸ | CTSL | P07711 | 1/20 | 0.33 |
| ▸ | CTSB | P07858 | 1/20 | 0.33 |
| ▸ | CTSH | P09668 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9540305 | 0.85 | CTSL (0.35) | CYP3A4MAPK1CSNK1ECTSKCTSL | |
| SCHEMBL9538885 | 0.81 | GABRA1 (0.40) | CYP3A4KDM4EMEN1MAPTKMT2A | |
| SCHEMBL9540182 | 0.78 | KDM4E (0.41) | ITGB1ITGA4TACR3CTSKCTSL | |
| SCHEMBL9698405 | 0.72 | KDM4E (0.45) | PARP1PARP3CYP3A4MAPK1CCR1 | |
| SCHEMBL9699633 | 0.69 | MAPK1 (0.47) | PARP1PARP3CYP3A4MAPK1CCR1 | |
| SCHEMBL9537553 | 0.65 | MAPK1 (0.43) | CYP3A4MAPK1MAPTKMT2A | |
| SCHEMBL7665154 | 0.64 | CCKBR (0.35) | PARP1PARP3CYP3A4MAPK1CCR1 | |
| SCHEMBL9538450 | 0.63 | KDM4E (0.42) | CYP3A4MAPK1TACR3CTSKCTSL | |
| SCHEMBL6888466 | 0.63 | USP2 (0.47) | CYP3A4MAPK1KDM4EMEN1MAPT | |
| SCHEMBL3403504 | 0.62 | CSNK1E (0.54) | CNR2CSNK1E |
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-1993003721-A1 | CHOLECYSTOKININ ANTAGONISTS USEFUL FOR TREATING DEPRESSION | WARNER-LAMBERT COMPANY (US) | 1993-03-04 | — | — | WO | disclosed |