Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTA4H | P09960 | 2/20 | 0.62 |
| ▸ | PKM | P14618 | 1/20 | 0.55 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.51 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 2/20 | 0.49 |
| ▸ | CA4 | P22748 | 1/20 | 0.48 |
| ▸ | ACP1 | P24666 | 1/20 | 0.46 |
| ▸ | FLT3 | P36888 | 1/20 | 0.46 |
| ▸ | IDO1 | P14902 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 3/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| 3-Methoxyphenylacetonitrile SCHEMBL28155308 | 0.96 | PKM (0.58) | LTA4HPKMSIGMAR1PBRM1HTT | |
| 3-Methoxyphenylacetonitrile SCHEMBL103029 | 0.92 | PKM (0.61) | LTA4HPKMFLT3IDO1NPC1 | |
| 3-Methoxyphenylacetonitrile SCHEMBL27728444 | 0.90 | PKM (0.59) | LTA4HPKMFLT3IDO1NPC1 | |
| 3-Methoxyphenylacetonitrile SCHEMBL29253102 | 0.90 | PKM (0.59) | LTA4HPKMFLT3IDO1NPC1 | |
| SCHEMBL5004118 | 0.86 | FLT3 (0.57) | LTA4HPKMFLT3IDO1ALDH1A1 | |
| SCHEMBL8992958 | 0.86 | LTA4H (0.59) | LTA4HPKMFLT3IDO1L3MBTL1 | |
| SCHEMBL20879574 | 0.86 | ACHE (0.50) | LTA4HPKMACP1FLT3IDO1 | |
| SCHEMBL6933353 | 0.81 | PKM (0.52) | LTA4HPKMFLT3IDO1NPC1 | |
| SCHEMBL3520397 | 0.81 | APP (0.61) | PKMHTTIDO1NPC1RAB9A | |
| SCHEMBL37831 | 0.81 | — | — |
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-6504044-B2 | Reacting cyclohexanone with the carbanions of an aryl acetonitrile using a base, isolating and purifying 1-(cyano(aryl)methyl) cyclohexanol compound by crystallization | COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) | 2003-01-07 | — | — | US | claimed |