Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 10/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.39 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.39 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | TDO2 | P48775 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 4/20 | 0.37 |
| ▸ | PDE2A | O00408 | 1/20 | 0.37 |
| ▸ | AR | P10275 | 1/20 | 0.37 |
| ▸ | THRA | P10827 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL10671332 | 0.86 | THRB (0.44) | P2RX7MEN1KMT2ANR1I2ABCB11 | |
| SCHEMBL5566953 | 0.86 | P2RX7 (0.44) | P2RX7MEN1KMT2ANR1I2ABCB11 | |
| SCHEMBL5566088 | 0.86 | P2RX7 (0.46) | P2RX7MEN1KMT2ANR1I2ABCB11 | |
| SCHEMBL5560395 | 0.86 | MEN1 (0.43) | P2RX7MEN1KMT2ANR1I2ABCB11 | |
| SCHEMBL10667155 | 0.86 | MEN1 (0.50) | P2RX7MEN1KMT2ANR1I2ABCB11 | |
| SCHEMBL5566710 | 0.85 | P2RX7 (0.41) | P2RX7MEN1KMT2ANR1I2ABCB11 | |
| SCHEMBL10669805 | 0.83 | KMT2A (0.43) | P2RX7MEN1KMT2ANR1I2ABCB11 | |
| SCHEMBL5561375 | 0.79 | MEN1 (0.46) | P2RX7MEN1KMT2ANR1I2ABCB11 | |
| SCHEMBL5564868 | 0.79 | P2RX7 (0.45) | P2RX7ABCB11IDO1TDO2THRB | |
| Benzoic Acid Hydrazide SCHEMBL6440127 | 0.79 | P2RX7 (0.46) | P2RX7ABCB11THRBPDE2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |