Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | PLA2G2A | P14555 | 3/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.43 |
| ▸ | GFER | P55789 | 1/20 | 0.41 |
| ▸ | PTGES | O14684 | 1/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.40 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | BRD4 | O60885 | 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 | |
|---|---|---|---|---|
| SCHEMBL19064537 | 0.87 | CYP1A2 (0.72) | CYP1A2CYP3A4CYP2D6CYP2C19PLA2G2A | |
| SCHEMBL19088055 | 0.86 | GFER (0.54) | CYP1A2CYP3A4CYP2D6CYP2C19PLA2G2A | |
| SCHEMBL19088135 | 0.73 | CYP1A2 (0.51) | CYP1A2CYP3A4CYP2D6CYP2C19PLA2G2A | |
| SCHEMBL19088144 | 0.73 | CYP1A2 (0.64) | CYP1A2CYP3A4CYP2D6CYP2C19PLA2G2A | |
| SCHEMBL19087997 | 0.73 | CYP1A2 (0.61) | CYP1A2CYP3A4CYP2D6CYP2C19PLA2G2A | |
| SCHEMBL16027044 | 0.72 | CYP1A2 (1.00) | CYP1A2CYP3A4CYP2D6CYP2C19PLA2G2A | |
| SCHEMBL19064547 | 0.72 | CYP1A2 (0.71) | CYP1A2CYP3A4CYP2D6CYP2C19PLA2G2A | |
| Hydrochloric Acid SCHEMBL19064529 | 0.71 | CYP1A2 (0.98) | CYP1A2CYP3A4CYP2D6CYP2C19PLA2G2A | |
| SCHEMBL3855495 | 0.70 | PLA2G2A (0.65) | PLA2G2APTGS2PTGDR2ALDH1A1KMT2A | |
| SCHEMBL19088165 | 0.70 | GFER (0.74) | PLA2G2AGFERPTGDR2MEN1ALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3397254-B1 | TRYPTAMINE-BASED SHIP INHIBITORS FOR THE TREATMENT OF CANCER | UNIV NEW YORK STATE RES FOUND (US) | 2021-10-27 | — | — | EP | disclosed |
| WO-2017117581-A1 | TRYPTAMINE-BASED SHIP INHIBITORS FOR THE TREATMENT OF CANCER | THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) | 2017-07-06 | — | — | WO | disclosed |