Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | LMNA | P02545 | 5/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.44 |
| ▸ | ALPG | P10696 | 2/20 | 0.44 |
| ▸ | VCAM1 | P19320 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | HSPB1 | P04792 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL10421676 | 0.91 | ALDH1A1 (0.41) | ALDH1A1LMNASMN1; SMN2ALPGVCAM1 | |
| SCHEMBL8147067 | 0.88 | MEN1 (0.46) | ALDH1A1VCAM1HTTHSD17B10TDP1 | |
| SCHEMBL10419885 | 0.85 | VCAM1 (0.44) | ALDH1A1LMNASMN1; SMN2ALPGVCAM1 | |
| SCHEMBL10419927 | 0.84 | ALDH1A1 (0.45) | ALDH1A1LMNASMN1; SMN2ALPGVCAM1 | |
| SCHEMBL7840238 | 0.84 | HSD17B10 (0.53) | ALDH1A1LMNAVCAM1HSD17B10TDP1 | |
| SCHEMBL5561482 | 0.80 | VCAM1 (0.40) | ALDH1A1LMNASMN1; SMN2VCAM1HTT | |
| SCHEMBL10421412 | 0.80 | MEN1 (0.40) | ALDH1A1VCAM1HSD17B10TDP1MEN1 | |
| SCHEMBL10672256 | 0.77 | ALDH1A1 (0.46) | ALDH1A1LMNASMN1; SMN2ALPGHPGD | |
| SCHEMBL10421418 | 0.76 | ALDH1A1 (0.43) | ALDH1A1LMNASMN1; SMN2ALPGVCAM1 | |
| SCHEMBL5565988 | 0.76 | MEN1 (0.39) | ALDH1A1LMNAVCAM1TDP1MEN1 |
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 |