Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 2/20 | 0.54 |
| ▸ | RAB9A | P51151 | 3/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.44 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.44 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.43 |
| ▸ | BRD4 | O60885 | 1/20 | 0.43 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8773979 | 0.88 | BRD4 (0.43) | PARP1BRD4 | |
| SCHEMBL12017406 | 0.83 | PARP1 (0.34) | PARP1RAB9ANPC1TSHRMAPT | |
| SCHEMBL10647684 | 0.81 | HDAC1 (0.49) | PARP1L3MBTL1 | |
| SCHEMBL10651705 | 0.79 | HDAC1 (0.53) | PARP1 | |
| SCHEMBL13088615 | 0.79 | ALDH1A1 (0.61) | RAB9ANPC1HSD17B10MEN1TSHR | |
| SCHEMBL6923199 | 0.79 | CRBN (0.46) | RAB9ANPC1HSD17B10MEN1TSHR | |
| SCHEMBL13088639 | 0.77 | CNR2 (0.52) | PARP1MEN1KMT2AMAPTNPSR1 | |
| SCHEMBL13088593 | 0.77 | KMT2A (0.50) | NPC1HSD17B10MEN1TSHRKMT2A | |
| SCHEMBL9911071 | 0.75 | DAO (0.43) | POLBALDH1A1CYP11B1CYP11B2 | |
| SCHEMBL14384831 | 0.75 | NPSR1 (0.64) | PARP1RAB9ANPC1HSD17B10MEN1 |
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 |