Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC11 | Q96DB2 | 3/20 | 0.40 |
| ▸ | HTR3A | P46098 | 1/20 | 0.39 |
| ▸ | MGLL | Q99685 | 4/20 | 0.39 |
| ▸ | SPR | P35270 | 4/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.36 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.36 |
| ▸ | MTOR | P42345 | 1/20 | 0.36 |
| ▸ | PRKDC | P78527 | 1/20 | 0.36 |
| ▸ | PIK3C3 | Q8NEB9 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL27385200 | 1.00 | HDAC11 (0.40) | HDAC11HTR3AMGLLSPRRAB9A | |
| SCHEMBL27385186 | 0.82 | HTR3A (0.41) | HDAC11HTR3AMGLLRAB9AALDH1A1 | |
| SCHEMBL30721036 | 0.82 | HTR3A (0.41) | HDAC11HTR3AMGLLRAB9AALDH1A1 | |
| SCHEMBL30721005 | 0.81 | RAB9A (0.42) | HTR3AMGLLSPRRAB9AALDH1A1 | |
| SCHEMBL27385213 | 0.81 | RAB9A (0.42) | HTR3AMGLLSPRRAB9AALDH1A1 | |
| SCHEMBL30784025 | 0.81 | KMT2A (0.45) | MGLLSPRRAB9AALDH1A1MAPT | |
| SCHEMBL27384895 | 0.80 | MGLL (0.44) | HTR3AMGLLRAB9APARP1 | |
| SCHEMBL30720987 | 0.79 | ALDH1A1 (0.36) | HDAC11HTR3AMGLLSPRRAB9A | |
| SCHEMBL30720995 | 0.79 | RAB9A (0.42) | HTR3AMGLLRAB9AALDH1A1MAPT | |
| SCHEMBL27385235 | 0.79 | RAB9A (0.42) | HTR3AMGLLRAB9AALDH1A1MAPT |
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-2024000401-A1 | 2-((1-(6-METHYL-4-OXO-3,4-DIHYDROQUINAZOLIN-8-YL)ETHYL)AMINO)BENZOIC ACID DERIVATIVES AND SIMILAR COMPOUNDS AS PI3K INHIBITORS FOR THE TREATMENT OF E.G. CANCER | QILU REGOR THERAPEUTICS INC. (CN) | 2024-01-04 | — | — | WO | disclosed |