Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | MMP1 | P03956 | 1/20 | 0.31 |
| ▸ | MMP2 | P08253 | 1/20 | 0.31 |
| ▸ | MMP3 | P08254 | 1/20 | 0.31 |
| ▸ | MMP9 | P14780 | 1/20 | 0.31 |
| ▸ | MMP13 | P45452 | 1/20 | 0.31 |
| ▸ | KISS1R | Q969F8 | 2/20 | 0.31 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5691920 | 0.86 | ALDH1A1 (0.50) | ALDH1A1TDP1CA2CYP2C19SMN1; SMN2 | |
| SCHEMBL15744597 | 0.72 | — | — | |
| SCHEMBL8880054 | 0.72 | — | — | |
| SCHEMBL1513097 | 0.72 | — | — | |
| SCHEMBL16784979 | 0.70 | — | — | |
| SCHEMBL7302496 | 0.70 | ALDH1A1 (0.46) | ALDH1A1TDP1CA2CYP2C19SMN1; SMN2 | |
| SCHEMBL13096990 | 0.70 | — | — | |
| SCHEMBL98446 | 0.69 | — | — | |
| SCHEMBL3948153 | 0.68 | — | — | |
| Methyl Isobutyl Ketone SCHEMBL1580340 | 0.67 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2001017977-A1 | 1,3,5-TRIAZINES AS HERBICIDES | NIHON BAYER AGROCHEM K.K. (JP) | 2001-03-15 | — | — | WO | disclosed |