Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.56 |
| ▸ | NPC1 | O15118 | 4/20 | 0.56 |
| ▸ | RAB9A | P51151 | 4/20 | 0.56 |
| ▸ | TP53 | P04637 | 1/20 | 0.56 |
| ▸ | STAT1 | P42224 | 1/20 | 0.56 |
| ▸ | FYN | P06241 | 3/20 | 0.53 |
| ▸ | JAK3 | P52333 | 1/20 | 0.53 |
| ▸ | MELK | Q14680 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 3/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.51 |
| ▸ | KDM1A | O60341 | 1/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.50 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.50 |
| ▸ | RELA | Q04206 | 1/20 | 0.50 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.50 |
| ▸ | PIK3C3 | Q8NEB9 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL10953295 | 0.83 | KDM4E (0.55) | SMN1; SMN2NPC1RAB9ATP53MAPT | |
| SCHEMBL7728110 | 0.82 | KMT2A (0.60) | SMN1; SMN2NPC1RAB9ATP53MAPT | |
| SCHEMBL12647571 | 0.82 | MAP4K4 (0.49) | FYNNTRK1 | |
| SCHEMBL12852522 | 0.80 | NTRK1 (0.45) | SMN1; SMN2NPC1RAB9ATP53STAT1 | |
| SCHEMBL7138395 | 0.78 | NQO2 (0.58) | SMN1; SMN2NPC1RAB9ATP53STAT1 | |
| SCHEMBL5612710 | 0.77 | MAPT (0.59) | SMN1; SMN2NPC1RAB9ATP53STAT1 | |
| SCHEMBL2648173 | 0.77 | CNR1 (0.65) | SMN1; SMN2NPC1RAB9ATP53STAT1 | |
| SCHEMBL22284859 | 0.76 | CYP17A1 (0.64) | FYNMAPTCYP17A1 | |
| SCHEMBL10953287 | 0.76 | IKBKB (0.45) | — | |
| SCHEMBL5690790 | 0.76 | CYP17A1 (0.64) | MAPTNQO2CYP17A1 |
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-2004101533-A1 | 1, 3, 4-BENZOTRIAZEPIN-2-ONE SALTS AND THEIR USE AS CCK RECEPTOR LIGANDS | JANSSEN PHARMACEUTICA, N.V. (US) | 2004-11-25 | — | — | WO | disclosed |