Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.55 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | NAMPT | P43490 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | JAK2 | O60674 | 2/20 | 0.41 |
| ▸ | PKM | P14618 | 2/20 | 0.41 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.41 |
| ▸ | RORC | P51449 | 2/20 | 0.40 |
| ▸ | HTR6 | P50406 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.37 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL29598196 | 0.81 | NPC1 (0.50) | NPC1POLBNAMPTMEN1KMT2A | |
| SCHEMBL24499511 | 0.81 | NPC1 (0.50) | NPC1POLBNAMPTMEN1KMT2A | |
| SCHEMBL5470927 | 0.77 | ALDH1A1 (0.62) | MEN1KMT2AALDH1A1JAK2PKM | |
| SCHEMBL2995685 | 0.76 | NPC1 (0.58) | NPC1POLBNAMPTMEN1KMT2A | |
| SCHEMBL1633443 | 0.74 | NPC1 (0.53) | NPC1POLBMEN1KMT2AALDH1A1 | |
| SCHEMBL16217090 | 0.74 | NPC1 (0.74) | NPC1POLBNAMPTMEN1KMT2A | |
| SCHEMBL25754848 | 0.73 | NPC1 (0.62) | NPC1POLBMEN1KMT2AALDH1A1 | |
| SCHEMBL31750670 | 0.73 | NPC1 (0.62) | NPC1POLBMEN1KMT2AALDH1A1 | |
| SCHEMBL4901779 | 0.72 | NPC1 (0.57) | NPC1POLBNAMPTMEN1KMT2A | |
| SCHEMBL25166791 | 0.72 | NPC1 (0.67) | NPC1POLBNAMPTMEN1KMT2A |
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-2022117920-A1 | 2,3-DIHYDRO-4H-BENZO[B][1,4]OXAZIN-4-YL)(5-(PHENYL)-PYRIDIN-3-YL)METHANONE DERIVATIVES AND SIMILAR COMPOUNDS AS CYP11A1 INHIBITORS FOR THE TREATMENT OF PROSTATE CANCER | ORION CORPORATION (FI) | 2022-06-09 | — | — | WO | disclosed |