Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.33 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 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 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1924519 | 0.83 | ALDH1A1 (0.53) | ALDH1A1TDP1CYP2C19CA2ACHE | |
| SCHEMBL42260 | 0.77 | — | — | |
| SCHEMBL10834211 | 0.76 | CYP2C19 (0.59) | ALDH1A1TDP1CYP2C19CA2ACHE | |
| SCHEMBL36990 | 0.76 | CYP2C19 (0.59) | ALDH1A1TDP1CYP2C19CA2ACHE | |
| SCHEMBL17733 | 0.76 | ALDH1A1 (0.46) | ALDH1A1TDP1CYP2C19CA2ACHE | |
| SCHEMBL110123 | 0.76 | ALDH1A1 (0.60) | ALDH1A1TDP1CYP2C19CA2ACHE | |
| SCHEMBL2333680 | 0.74 | TDP1 (0.45) | ALDH1A1TDP1CYP2C19CA2ACHE | |
| SCHEMBL30522387 | 0.74 | ALDH1A1 (0.57) | ALDH1A1TDP1CYP2C19CA2ACHE | |
| SCHEMBL8729467 | 0.74 | ALDH1A1 (0.57) | ALDH1A1TDP1CYP2C19CA2ACHE | |
| SCHEMBL29053210 | 0.74 | ALDH1A1 (0.57) | ALDH1A1TDP1CYP2C19CA2ACHE |
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 |