Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | MMP2 | P08253 | 1/20 | 0.43 |
| ▸ | MMP12 | P39900 | 1/20 | 0.43 |
| ▸ | NEU3 | Q9UQ49 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | APEX1 | P27695 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2236956 | 0.88 | ALDH1A1 (0.50) | ALDH1A1HPGDMMP2MMP12KMT2A | |
| SCHEMBL8385239 | 0.82 | CYP1A2 (0.41) | ALDH1A1HPGDMMP2MMP12SMN1; SMN2 | |
| SCHEMBL2236058 | 0.80 | CYP3A4 (0.51) | ALDH1A1HPGDSMN1; SMN2KDM4EMAPT | |
| SCHEMBL7532781 | 0.80 | ALDH1A1 (0.49) | ALDH1A1HPGDSMN1; SMN2MEN1KMT2A | |
| SCHEMBL7427803 | 0.79 | ALDH1A1 (0.53) | ALDH1A1HPGDSMN1; SMN2KMT2AKDM4E | |
| SCHEMBL6939655 | 0.78 | RARB (0.50) | ALDH1A1HPGDMMP2MMP12FFAR1 | |
| SCHEMBL5667645 | 0.77 | ALDH1A1 (0.47) | ALDH1A1HPGDMMP2MMP12SMN1; SMN2 | |
| SCHEMBL5669097 | 0.76 | ALDH1A1 (0.46) | ALDH1A1HPGDMMP2MMP12SMN1; SMN2 | |
| SCHEMBL7473563 | 0.75 | ALDH1A1 (0.49) | ALDH1A1HPGDSMN1; SMN2KMT2AKDM4E | |
| SCHEMBL5669192 | 0.74 | ALDH1A1 (0.47) | ALDH1A1HPGDMMP2MMP12SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2176203-B1 | A PROCESS FOR THE PALLADIUM-CATALYZED COUPLING OF TERMINAL ALKYNES WITH ARYL TOSYLATES | SANOFI SA (FR) | 2011-08-10 | — | — | EP | claimed |