Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTA4H | P09960 | 2/20 | 0.59 |
| ▸ | PKM | P14618 | 1/20 | 0.56 |
| ▸ | SAE1 | Q9UBE0 | 1/20 | 0.47 |
| ▸ | UBA2 | Q9UBT2 | 1/20 | 0.47 |
| ▸ | FLT3 | P36888 | 1/20 | 0.47 |
| ▸ | IDO1 | P14902 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | AGXT | P21549 | 2/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
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 SCHEMBL103029 | 0.94 | PKM (0.61) | LTA4HPKMFLT3IDO1ALDH1A1 | |
| 3-Methoxyphenylacetonitrile SCHEMBL29253102 | 0.92 | PKM (0.59) | LTA4HPKMFLT3IDO1ALDH1A1 | |
| 3-Methoxyphenylacetonitrile SCHEMBL27728444 | 0.92 | PKM (0.59) | LTA4HPKMFLT3IDO1ALDH1A1 | |
| 3-Methoxyphenylacetonitrile SCHEMBL28155308 | 0.90 | PKM (0.58) | LTA4HPKMFLT3IDO1ALDH1A1 | |
| SCHEMBL5004118 | 0.88 | FLT3 (0.57) | LTA4HPKMFLT3IDO1ALDH1A1 | |
| SCHEMBL8992841 | 0.87 | CALM1 (0.50) | LTA4HPKMSAE1UBA2FLT3 | |
| 3-Methoxyphenylacetonitrile SCHEMBL7135147 | 0.86 | LTA4H (0.62) | LTA4HPKMFLT3IDO1ALDH1A1 | |
| SCHEMBL3520397 | 0.83 | APP (0.61) | PKMIDO1ALDH1A1AGXTMAOB | |
| SCHEMBL6933353 | 0.83 | PKM (0.52) | LTA4HPKMFLT3IDO1ALDH1A1 | |
| SCHEMBL8992947 | 0.83 | LTA4H (0.49) | LTA4HIDO1AGXTTAAR1MAOB |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1036919-C | Pyrazole condensed ring derivatives, method of manufacturing the same, and androgen inhibitor | OTSUKA PHARMA CO LTD (JP) | 1998-01-07 | — | — | CN | disclosed |
| US-5516777-A | PROSTATE CANCER THERAPY | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1996-05-14 | — | — | US | disclosed |
| US-5409928-A | Prostate diseases, alopecia | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1995-04-25 | — | — | US | disclosed |
| EP-0594149-A2 | Condensed pyrazole derivatives, method of manufacturing the same, and androgen inhibitor | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1994-04-27 | — | — | EP | disclosed |