Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | CXCR2 | P25025 | 4/20 | 0.34 |
| ▸ | CX3CR1 | P49238 | 4/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | MPO | P05164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11028566 | 0.76 | KMT2A (0.36) | CYP2D6ALDH1A1LMNAKMT2AL3MBTL1 | |
| SCHEMBL11248933 | 0.71 | NPC1 (0.45) | CYP2C9CYP2C19NPSR1LMNA | |
| SCHEMBL11029045 | 0.69 | ALDH1A1 (0.41) | ALDH1A1LMNAKMT2AL3MBTL1MPO | |
| SCHEMBL11158949 | 0.69 | MAPT (0.44) | NPSR1ALDH1A1LMNAKMT2A | |
| SCHEMBL11157287 | 0.68 | DAO (0.33) | ALDH1A1LMNAKMT2AL3MBTL1MPO | |
| SCHEMBL23111620 | 0.58 | MPO (0.48) | PKMCXCR2CX3CR1ADORA3CYP2C19 | |
| SCHEMBL1588262 | 0.58 | MPO (0.48) | PKMCXCR2CX3CR1ADORA3CYP2C19 | |
| SCHEMBL489989 | 0.58 | MPO (0.48) | PKMCXCR2CX3CR1ADORA3CYP2C19 | |
| SCHEMBL11370239 | 0.57 | L3MBTL1 (0.50) | PKMCYP2D6ALDH1A1LMNAKMT2A | |
| SCHEMBL11025536 | 0.55 | LMNA (0.42) | ALDH1A1LMNA |
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 |