Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.43 |
| ▸ | LMNA | P02545 | 4/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | ALPG | P10696 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | AR | P10275 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | RPS6KB1 | P23443 | 3/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL10420292 | 0.91 | ALDH1A1 (0.47) | ALDH1A1LMNASMN1; SMN2TDP1ALPG | |
| SCHEMBL10672256 | 0.90 | ALDH1A1 (0.46) | ALDH1A1LMNASMN1; SMN2TDP1ALPG | |
| SCHEMBL10420876 | 0.88 | ALDH1A1 (0.41) | ALDH1A1LMNASMN1; SMN2TDP1HTT | |
| SCHEMBL10420605 | 0.82 | ALDH1A1 (0.43) | ALDH1A1LMNASMN1; SMN2TDP1HPGD | |
| SCHEMBL10421676 | 0.78 | ALDH1A1 (0.41) | ALDH1A1LMNASMN1; SMN2TDP1ALPG | |
| SCHEMBL8145600 | 0.77 | MEN1 (0.48) | ALDH1A1LMNASMN1; SMN2TDP1HPGD | |
| SCHEMBL10673699 | 0.77 | LMNA (0.43) | ALDH1A1LMNASMN1; SMN2TDP1ALPG | |
| SCHEMBL11761653 | 0.72 | ALDH1A1 (0.59) | ALDH1A1LMNASMN1; SMN2TDP1ALPG | |
| SCHEMBL7838595 | 0.72 | CYP3A4 (0.45) | ALDH1A1CYP3A4L3MBTL1MEN1NR1I2 | |
| Hydrochloric Acid SCHEMBL11763940 | 0.71 | ALDH1A1 (0.58) | ALDH1A1LMNASMN1; SMN2TDP1ALPG |
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 |