Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.38 |
| ▸ | EGFR | P00533 | 1/20 | 0.38 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.38 |
| ▸ | LCK | P06239 | 1/20 | 0.38 |
| ▸ | FYN | P06241 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.38 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL10420605 | 0.94 | ALDH1A1 (0.43) | ALDH1A1MEN1KMT2ANR1I2L3MBTL1 | |
| SCHEMBL8145600 | 0.89 | MEN1 (0.48) | ALDH1A1MEN1KMT2ANR1I2L3MBTL1 | |
| SCHEMBL10420892 | 0.88 | ALDH1A1 (0.43) | ALDH1A1MEN1KMT2ANR1I2L3MBTL1 | |
| SCHEMBL7917739 | 0.81 | MEN1 (0.39) | ALDH1A1MEN1KMT2ANR1I2L3MBTL1 | |
| SCHEMBL10420292 | 0.78 | ALDH1A1 (0.47) | ALDH1A1KMT2AGAACYP3A4TDP1 | |
| SCHEMBL5570071 | 0.78 | ALDH1A1 (0.43) | ALDH1A1MEN1KMT2ANR1I2L3MBTL1 | |
| SCHEMBL10672256 | 0.76 | ALDH1A1 (0.46) | ALDH1A1MEN1KMT2ANR1I2L3MBTL1 | |
| SCHEMBL10421412 | 0.76 | MEN1 (0.40) | ALDH1A1MEN1KMT2ANR1I2L3MBTL1 | |
| SCHEMBL4799423 | 0.75 | ALDH1A1 (0.46) | ALDH1A1MEN1KMT2ANR1I2L3MBTL1 | |
| SCHEMBL3238327 | 0.75 | L3MBTL1 (0.49) | ALDH1A1MEN1KMT2ANR1I2L3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0170316-B1 | ALPHA-ARYL-4-(4,5-DIHYDRO-3,5-DIOXO-1,2,4-TRIAZIN-2(3H)-YL)BENZENEACETONITRILES | JANSSEN PHARMACEUTICA N.V. (BE) | 1990-05-30 | — | — | EP | disclosed |
| US-4778887-A | ANTIPROTOZOA AGENTS | JANSSEN PHARMACEUTICA N.V. (BE) | 1988-10-18 | — | — | US | disclosed |
| US-4631278-A | Anti-protozoal α-aryl-4-(4,5-dihydro-3,5-dioxo-1,2,4-triazin-2(3H)-yl)-benzeneacetonitrile derivatives, pharmaceutical compositions, and method of use therefor | JANSSEN PHARMACEUTICA N.V. (BE) | 1986-12-23 | — | — | US | disclosed |
| EP-0170316-A2 | alpha-Aryl-4-(4,5-dihydro-3,5-dioxo-1,2,4-triazin-2(3H)-yl)benzeneacetonitriles | JANSSEN PHARMACEUTICA N.V. (BE) | 1986-02-05 | — | — | EP | disclosed |