Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | APP | P05067 | 2/20 | 0.35 |
| ▸ | PDE5A | O76074 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 4/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | METAP1 | P53582 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11030379 | 0.91 | HSD17B10 (0.41) | ALDH1A1HSD17B10SMN1; SMN2NPC1RAB9A | |
| SCHEMBL11031231 | 0.89 | HSP90AA1 (0.40) | ALDH1A1TDP1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL11029983 | 0.82 | MAPT (0.40) | ALDH1A1HSD17B10SMN1; SMN2NPC1RAB9A | |
| SCHEMBL11033821 | 0.81 | KMT2A (0.41) | ALDH1A1TDP1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL11163114 | 0.80 | ALDH1A1 (0.40) | ALDH1A1TDP1HSD17B10SMN1; SMN2NPC1 | |
| SCHEMBL11030126 | 0.78 | KMT2A (0.39) | ALDH1A1TDP1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL11029999 | 0.69 | ALDH1A1 (0.33) | ALDH1A1TDP1 | |
| SCHEMBL5888974 | 0.68 | RAB9A (0.59) | ALDH1A1HSD17B10SMN1; SMN2NPC1RAB9A | |
| SCHEMBL11076657 | 0.67 | CYP1A2 (0.31) | HSD17B10KMT2ACYP1A2CYP2C9CYP2C19 | |
| SCHEMBL9874270 | 0.67 | HSD17B10 (0.46) | ALDH1A1TDP1HSD17B10SMN1; SMN2NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0078784-B1 | THIO-SUBSTITUTED-1,3,5-TRIAZINE-DIAMINES AND -TRIAMINES USEFUL AS PREVULCANIZATION INHIBITORS | MONSANTO COMPANY (US) | 1985-07-03 | — | — | EP | disclosed |
| US-4460769-A | Thio-amino-1,3,5-triazines | MONSANTO COMPANY (US) | 1984-07-17 | — | — | US | disclosed |
| EP-0078784-A1 | Thio-substituted-1,3,5-triazine-diamines and -triamines useful as prevulcanization inhibitors | MONSANTO COMPANY (US) | 1983-05-11 | — | — | EP | disclosed |