Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.41 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.41 |
| ▸ | UNG | P13051 | 1/20 | 0.37 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.36 |
| ▸ | ABAT | P80404 | 1/20 | 0.36 |
| ▸ | GRIK1 | P39086 | 2/20 | 0.36 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.36 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.36 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | MMP2 | P08253 | 2/20 | 0.35 |
| ▸ | MMP9 | P14780 | 2/20 | 0.35 |
| ▸ | MMP12 | P39900 | 2/20 | 0.35 |
| ▸ | MMP14 | P50281 | 1/20 | 0.35 |
| ▸ | MMP15 | P51511 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL20560043 | 1.00 | ALDH1A1 (0.50) | ALDH1A1PARP10PARP3UNGALDH5A1 | |
| SCHEMBL8936829 | 0.81 | ALDH1A1 (0.44) | ALDH1A1PARP10PARP3GRIK1GRIK2 | |
| SCHEMBL10708853 | 0.80 | ALKBH5 (0.47) | KMT2AMEN1CYP2C19MMP2MMP9 | |
| SCHEMBL8506429 | 0.80 | ALKBH5 (0.47) | KMT2AMEN1CYP2C19MMP2MMP9 | |
| SCHEMBL11133283 | 0.80 | ALKBH5 (0.47) | KMT2AMEN1CYP2C19MMP2MMP9 | |
| Bromide SCHEMBL6489944 | 0.79 | SLC7A5 (0.46) | ALDH1A1TYRKDM4E | |
| Aspartic Acid SCHEMBL23242572 | 0.77 | GRIK1 (0.53) | ALDH1A1UNGGRIK1GRIK2CYP2A6 | |
| SCHEMBL9959750 | 0.75 | CYP2C9 (0.37) | KMT2AMEN1CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL901938 | 0.75 | CYP2C9 (0.37) | KMT2AMEN1CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL4461196 | 0.74 | ALDH1A1 (0.52) | ALDH1A1PARP10PARP3ALDH5A1ABAT |
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-1993002100-A1 | METHOD FOR CRYSTALLIZING ALPHA-L-ASPARTYL-L-PHENYLALANINE METHYL ESTER | TOSOH CORPORATION (JP) | 1993-02-04 | — | — | WO | disclosed |