Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.37 |
| ▸ | PDE4B | Q07343 | 4/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.35 |
| ▸ | PDE4A | P27815 | 3/20 | 0.35 |
| ▸ | PDE4C | Q08493 | 3/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 3/20 | 0.33 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.31 |
| ▸ | EGFR | P00533 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL21938439 | 0.78 | — | — | |
| SCHEMBL12331951 | 0.65 | ALDH1A1 (0.38) | ALDH1A1PDE4BCHRM3PDE4APDE4C | |
| SCHEMBL19526425 | 0.63 | MEN1 (0.36) | MEN1KMT2A | |
| SCHEMBL15462748 | 0.61 | ALDH1A1 (0.41) | ALDH1A1PDE4BCHRM3PDE4APDE4C | |
| SCHEMBL19526529 | 0.60 | MEN1 (0.34) | MEN1KMT2A | |
| SCHEMBL19986585 | 0.59 | LRRK2 (0.46) | ALDH1A1PDE4BCHRM3PDE4APDE4C | |
| SCHEMBL19956896 | 0.57 | HDAC1 (0.40) | ALDH1A1PDE4ASMN1; SMN2FYN | |
| SCHEMBL31380665 | 0.57 | PDE4A (0.46) | PDE4APDE10AMEN1KMT2ARAB9A | |
| SCHEMBL20224026 | 0.57 | MEN1 (0.37) | MEN1KMT2A | |
| SCHEMBL14666867 | 0.57 | MEN1 (0.32) | MEN1KMT2A |
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-2020052194-A1 | FUSED RING BENZOTHIADIAZOLE-BASED NON-FULLERENE ACCEPTOR MATERIAL, PREPARATION METHOD THEREFOR AND USE THEREOF | 中南大学 | 2020-03-19 | — | — | WO | disclosed |