Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.43 |
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
| ▸ | CASP7 | P55210 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | CTSD | P07339 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | PDE5A | O76074 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5348766 | 0.79 | ACHE (0.38) | ALDH1A1CASP1CASP7HSD17B10ACHE | |
| SCHEMBL18109475 | 0.68 | DHFR (0.47) | — | |
| SCHEMBL27871762 | 0.68 | ALDH1A1 (0.46) | ALDH1A1CASP1CASP7HSD17B10NPC1 | |
| SCHEMBL4264863 | 0.67 | MCHR1 (0.56) | — | |
| SCHEMBL5352801 | 0.66 | MCHR1 (0.47) | ALDH1A1HSD17B10ACHEMAPTNPC1 | |
| SCHEMBL5349078 | 0.66 | MCHR1 (0.47) | ALDH1A1HSD17B10ACHEMAPTNPC1 | |
| SCHEMBL14910375 | 0.66 | MIF (0.41) | ALDH1A1CASP1CASP7HSD17B10MAPT | |
| SCHEMBL27948442 | 0.66 | PLAU (0.39) | ACHEMEN1CYP3A4CYP2D6KMT2A | |
| SCHEMBL28067027 | 0.66 | PDE5A (0.47) | ALDH1A1CASP1MAPTCTSDNPC1 | |
| SCHEMBL4816102 | 0.65 | POLB (0.43) | ALDH1A1HSD17B10ACHEMAPTNPC1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7189714-B2 | N-type calcium channel antagonists for the treatment of pain | ASTRAZENECA AB (SE) | 2007-03-13 | — | — | US | disclosed |