Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALCRL | Q16602 | 2/20 | 0.74 |
| ▸ | NPC1 | O15118 | 1/20 | 0.67 |
| ▸ | ATM | Q13315 | 1/20 | 0.67 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.67 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.67 |
| ▸ | ERAP1 | Q9NZ08 | 1/20 | 0.67 |
| ▸ | SHBG | P04278 | 1/20 | 0.64 |
| ▸ | FYN | P06241 | 1/20 | 0.64 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.59 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.59 |
| ▸ | TYR | P14679 | 1/20 | 0.58 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.58 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.58 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.58 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.58 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.54 |
| ▸ | PDE4A | P27815 | 1/20 | 0.54 |
| ▸ | ESR1 | P03372 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL16011311 | 0.85 | ABCB1 (0.66) | CALCRLPTPN1CYP1B1CYP1A1CYP1A2 | |
| SCHEMBL28409862 | 0.82 | PDE4A (0.54) | CALCRLNPC1ATMTLR9TDP1 | |
| SCHEMBL28409481 | 0.82 | PDE4A (0.54) | CALCRLNPC1ATMTLR9TDP1 | |
| SCHEMBL5082383 | 0.81 | NPC1 (1.00) | NPC1ATMTLR9TDP1ERAP1 | |
| SCHEMBL4400168 | 0.81 | FYN (0.81) | FYNCYP1B1ABCB1MEN1TP53 | |
| SCHEMBL11672469 | 0.80 | ABCB1 (0.65) | NPC1FYNPTPN1CYP1B1CYP1A1 | |
| SCHEMBL9138143 | 0.79 | SHBG (1.00) | CALCRLNPC1TDP1ERAP1SHBG | |
| SCHEMBL1743359 | 0.79 | CALCRL (0.69) | CALCRLNPC1ERAP1SHBGPTPN1 | |
| SCHEMBL14838464 | 0.78 | PTPN1 (0.61) | CALCRLPTPN1CYP1B1CYP1A1CYP1A2 | |
| SCHEMBL21860285 | 0.78 | ALOX5 (0.52) | CALCRLNPC1ATMTLR9TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2760969-B1 | DIARYLETHENE COMPOUNDS AND USES THEREOF | SWITCH MAT INC (CA) | 2018-05-16 | — | — | EP | disclosed |