Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.59 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.56 |
| ▸ | HTT | P42858 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | DRD3 | P35462 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | CASP1 | P29466 | 1/20 | 0.46 |
| ▸ | CASP7 | P55210 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.46 |
| ▸ | NCF1 | P14598 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL29133435 | 0.95 | PDE10A (0.58) | CYP3A4PDE10AHTTCYP1A2CYP2C19 | |
| SCHEMBL14464160 | 0.92 | CYP3A4 (0.60) | CYP3A4PDE10AHTTCYP1A2CYP2C19 | |
| SCHEMBL23412137 | 0.88 | CYP3A4 (0.68) | CYP3A4PDE10AHTTCYP1A2CYP2C19 | |
| SCHEMBL5398136 | 0.87 | PPARG (0.50) | CYP3A4PDE10AHTTCYP1A2CYP2C19 | |
| SCHEMBL23412263 | 0.86 | NPC1 (0.68) | CYP3A4PDE10AHTTCYP1A2CYP2C19 | |
| SCHEMBL12957491 | 0.85 | CYP3A4 (0.60) | CYP3A4PDE10AHTTCYP1A2CYP2C19 | |
| SCHEMBL27976043 | 0.85 | CYP3A4 (0.64) | CYP3A4PDE10AHTTCYP1A2CYP2C19 | |
| SCHEMBL32667931 | 0.84 | PDE10A (0.60) | CYP3A4PDE10AHTTCYP1A2CYP2C19 | |
| SCHEMBL5957137 | 0.84 | CYP3A4 (0.59) | CYP3A4PDE10AHTTCYP1A2CYP2C19 | |
| SCHEMBL23412359 | 0.83 | TDP1 (0.62) | CYP3A4PDE10AHTTCYP1A2CYP2C19 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023143393-A1 | TRICYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 上海科技大学 | 2023-08-03 | — | — | WO | disclosed |
| WO-2003047583-A1 | PHARMACEUTICAL COMPOSITIONS COMPRISING BENZOFURANYL SUBSTITUTED 3-CYANOQUINOLINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF SOLID TUMOURS | ASTRAZENECA AB (SE) | 2003-06-12 | — | — | WO | disclosed |
| WO-2003048159-A1 | QUINOLINE DERIVATIVES | ASTRAZENECA AB (SE) | 2003-06-12 | — | — | WO | disclosed |
| EP-0658160-A1 | ANTIPSYCHOTIC QUINOLINE DERIVATIVES OF BENZODIOXANMETHYLAMINE | AMERICAN HOME PRODUCTS CORPORATION (US) | 1995-06-21 | — | — | EP | disclosed |
| WO-1994005655-A1 | ANTIPSYCHOTIC QUINOLINE DERIVATIVES OF BENZODIOXANMETHYLAMINE | AMERICAN HOME PRODUCTS CORPORATION (US) | 1994-03-17 | — | — | WO | disclosed |
| US-5235055-A | Antipsychotic quinoline derivatives of benzodioxanmethylamine | AMERICAN HOME PRODUCTS CORPORATION (US) | 1993-08-10 | — | — | US | disclosed |