Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.61 |
| ▸ | GAA | P10253 | 1/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | CTSK | P43235 | 1/20 | 0.40 |
| ▸ | MMP2 | P08253 | 2/20 | 0.40 |
| ▸ | MMP9 | P14780 | 2/20 | 0.40 |
| ▸ | MMP8 | P22894 | 2/20 | 0.40 |
| ▸ | MMP14 | P50281 | 2/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | SGMS2 | Q8NHU3 | 3/20 | 0.37 |
| ▸ | CNR1 | P21554 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28305748 | 0.91 | ALDH1A1 (0.53) | ALDH1A1GAAKDM4EKMT2ACTSK | |
| SCHEMBL2521895 | 0.91 | ALDH1A1 (0.53) | ALDH1A1GAAKDM4EKMT2ACTSK | |
| SCHEMBL11565259 | 0.91 | ALDH1A1 (0.55) | ALDH1A1GAAKDM4EKMT2ACTSK | |
| SCHEMBL28305744 | 0.91 | ALDH1A1 (0.64) | ALDH1A1GAAKDM4EKMT2ACTSK | |
| SCHEMBL240963 | 0.87 | ALDH1A1 (0.53) | ALDH1A1GAAKDM4EKMT2ACTSK | |
| SCHEMBL30731691 | 0.87 | ALDH1A1 (0.85) | ALDH1A1GAAKDM4EKMT2ASMN1; SMN2 | |
| SCHEMBL30731679 | 0.76 | ALDH1A1 (1.00) | ALDH1A1GAAKDM4EKMT2ASMN1; SMN2 | |
| SCHEMBL17076429 | 0.75 | ALDH1A1 (0.69) | ALDH1A1GAAKDM4EKMT2ASMN1; SMN2 | |
| SCHEMBL8971940 | 0.75 | ALDH1A1 (0.69) | ALDH1A1GAAKDM4EKMT2ASMN1; SMN2 | |
| SCHEMBL19707217 | 0.73 | MMP2 (0.41) | ALDH1A1GAAKDM4EKMT2AMMP2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109928893-A | A kind of α-Process for the cyanation of N- arylmethyl aniline | 重庆大学 | 2019-06-25 | — | — | CN | disclosed |