Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNN4 | O15554 | 2/20 | 0.42 |
| ▸ | TRPV3 | Q8NET8 | 8/20 | 0.40 |
| ▸ | TRPA1 | O75762 | 4/20 | 0.40 |
| ▸ | KIF11 | P52732 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | HRH1 | P35367 | 1/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.33 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL18307299 | 1.00 | KCNN4 (0.42) | KCNN4TRPV3TRPA1KIF11CYP2D6 | |
| SCHEMBL7417614 | 1.00 | KCNN4 (0.42) | KCNN4TRPV3TRPA1KIF11CYP2D6 | |
| SCHEMBL10053574 | 0.81 | KCNN4 (0.50) | KCNN4TRPA1KIF11CYP2D6ALDH1A1 | |
| SCHEMBL1776001 | 0.78 | RCE1 (0.39) | KCNN4TRPV3TRPA1CYP2D6CYP2C19 | |
| SCHEMBL3852207 | 0.77 | KCNN4 (0.47) | KCNN4TRPA1KIF11 | |
| SCHEMBL6565005 | 0.77 | KCNN4 (0.47) | KCNN4TRPA1KIF11 | |
| SCHEMBL3854524 | 0.77 | KCNN4 (0.47) | KCNN4TRPA1KIF11 | |
| SCHEMBL3853261 | 0.76 | KCNN4 (0.50) | KCNN4TRPA1KIF11CYP2D6ALDH1A1 | |
| SCHEMBL3666885 | 0.76 | KCNN4 (0.50) | KCNN4TRPA1KIF11CYP2D6ALDH1A1 | |
| SCHEMBL4484584 | 0.76 | KCNN4 (0.50) | KCNN4TRPA1KIF11CYP2D6ALDH1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0707564-B1 | DIFLUORO STATONE ANALOGS | MERRELL PHARMA INC (US) | 2000-09-20 | — | — | EP | disclosed |
| US-6114380-A | ANTIVIRAL AGENT; ADMINISTERING TO TREAT HIV INFECTION; N-(4-(N-BENZYLOXYCARBONYL-L-VALYL)AMINO-2,2-DIFLUORO-1,3-DIOXO-5-(4-(2-N -MORPHOLYL)ETHYLOXY)PHENYL-PENTYL)-O-((2-PYRIDYL)METHYL)-D-VALINOL, FOR EXAMPLE | MERRELL PHARMACEUTICALS INC. (US) | 2000-09-05 | — | — | US | disclosed |
| US-5717093-A | VIRICIDE | MERRELL PHARMACEUTICALS INC. (US) | 1998-02-10 | — | — | US | disclosed |
| EP-0707564-A1 | DIFLUORO STATONE ANALOGS | MERRELL PHARMACEUTICALS INC. (US) | 1996-04-24 | — | — | EP | disclosed |
| WO-1995001958-A1 | DIFLUORO STATONE ANALOGS | MERRELL PHARMACEUTICALS INC. (US) | 1995-01-19 | — | — | WO | disclosed |