Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.34 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | NOS3 | P29474 | 1/20 | 0.33 |
| ▸ | NOS1 | P29475 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | IDH1 | O75874 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL23848579 | 1.00 | ACHE (0.40) | ACHENPC1HTR2CALDH1A1CYP3A4 | |
| SCHEMBL25508926 | 0.71 | ACHE (0.35) | ACHEHTR2CALDH1A1CHRNB2CHRNB4 | |
| SCHEMBL9463700 | 0.70 | ACHE (0.42) | ACHECA1CA2CA7CA9 | |
| SCHEMBL17805451 | 0.69 | — | — | |
| SCHEMBL28054192 | 0.67 | CA9 (0.35) | ACHENPC1CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL27419379 | 0.67 | CA1 (0.35) | ACHECHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL31040911 | 0.66 | ACHE (0.42) | ACHEHTR2CCA1CA2 | |
| SCHEMBL18878150 | 0.66 | ACHE (0.42) | ACHEHTR2CCA1CA2CA7 | |
| SCHEMBL18863238 | 0.66 | ACHE (0.42) | ACHEHTR2CCA1CA2CA7 | |
| SCHEMBL18878104 | 0.66 | ACHE (0.42) | ACHEHTR2CCA1CA2CA7 |
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-2021188949-A1 | 3-DIARYLMETHYLENES AND USES THEREOF | ATUX ISKAY LLC (US) | 2021-09-23 | — | — | WO | disclosed |