Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.55 |
| ▸ | MAPT | P10636 | 5/20 | 0.53 |
| ▸ | TSHR | P16473 | 4/20 | 0.53 |
| ▸ | RAB9A | P51151 | 2/20 | 0.53 |
| ▸ | USP2 | O75604 | 1/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | CASP1 | P29466 | 1/20 | 0.53 |
| ▸ | CASP7 | P55210 | 1/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL10618850 | 0.77 | CYP2C9 (0.70) | CYP2C9CYP2C19MAPTTSHRRAB9A | |
| SCHEMBL1110850 | 0.72 | GPR84 (0.53) | MAPTTSHRHSD17B10ALDH1A1RECQL | |
| SCHEMBL24191327 | 0.70 | SCN9A (0.56) | RAB9AUSP2KDM4EALDH1A1MEN1 | |
| SCHEMBL11757421 | 0.69 | CYP2C9 (0.37) | CYP2C9CYP2C19MAPTTSHRRAB9A | |
| SCHEMBL5305104 | 0.69 | SMN1; SMN2 (0.62) | CYP2C9CYP2C19MAPTTSHRKDM4E | |
| SCHEMBL26354760 | 0.67 | ALDH1A1 (0.50) | CYP2C9CYP2C19MAPTTSHRRAB9A | |
| SCHEMBL14611873 | 0.67 | ALDH1A1 (0.49) | CYP2C9CYP2C19MAPTTSHRRAB9A | |
| SCHEMBL5301134 | 0.67 | ALDH1A1 (0.52) | CYP2C9CYP2C19MAPTTSHRRAB9A | |
| SCHEMBL11324659 | 0.66 | MEN1 (0.40) | MAPTTSHRRAB9AALDH1A1RECQL | |
| SCHEMBL10815972 | 0.66 | ALDH1A1 (0.56) | CYP2C9CYP2C19MAPTTSHRRAB9A |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0144668-B1 | METHOD FOR THE PREPARATION OF 3,4,6-TRISUBSTITUTED 3-ALKYLTHIO-1,2,4-TRIAZIN-5-ONE DERIVATIVES | BAYER AG (DE) | 1987-12-23 | — | — | EP | claimed |
| US-4544744-A | ALKYLATION WITH OXYGEN-CONTAINING ACID ESTER | BAYER AKTIENGESELLSCHAFT (DE) | 1985-10-01 | — | — | US | claimed |
| JP-60112777-A | — | — | None | — | — | JP | disclosed |
| EP-0144668-B1 | METHOD FOR THE PREPARATION OF 3,4,6-TRISUBSTITUTED 3-ALKYLTHIO-1,2,4-TRIAZIN-5-ONE DERIVATIVES | BAYER AG (DE) | 1987-12-23 | — | — | EP | disclosed |
| US-4544744-A | ALKYLATION WITH OXYGEN-CONTAINING ACID ESTER | BAYER AKTIENGESELLSCHAFT (DE) | 1985-10-01 | — | — | US | disclosed |
| US-4544744-A | ALKYLATION WITH OXYGEN-CONTAINING ACID ESTER | BAYER AKTIENGESELLSCHAFT (DE) | 1985-10-01 | — | — | US | disclosed |
| US-4544744-A | ALKYLATION WITH OXYGEN-CONTAINING ACID ESTER | BAYER AKTIENGESELLSCHAFT (DE) | 1985-10-01 | — | — | US | disclosed |
| EP-0144668-A1 | Method for the preparation of 3,4,6-trisubstituted 3-alkylthio-1,2,4-triazin-5-one derivatives | BAYER AG (DE) | 1985-06-19 | — | — | EP | disclosed |
| JP-S60112777-A | MANUFACTURE OF 3,4,6-TRISUBSTITUTED 3-ALKYLTHIO-1,2, 4-TRIAZIN-5-ONE | BAYER AG | 1985-06-19 | — | — | JP | disclosed |
| US-4002624-A | HERBICIDES, FUNGICIDES, INSECTICIDES, ANTIMICROBIALS | THE DOW CHEMICAL COMPANY (US) | 1977-01-11 | — | — | US | disclosed |