Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | SCN1A | P35498 | 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 | |
|---|---|---|---|---|
| SCHEMBL19861350 | 0.91 | ALDH1A1 (0.44) | ALDH1A1KDM4ESMN1; SMN2KEAP1SIGMAR1 | |
| SCHEMBL15183536 | 0.90 | ALDH1A1 (0.43) | ALDH1A1KDM4ESMN1; SMN2KEAP1SIGMAR1 | |
| SCHEMBL15183534 | 0.90 | ALDH1A1 (0.43) | ALDH1A1KDM4ESMN1; SMN2KEAP1SIGMAR1 | |
| SCHEMBL17523831 | 0.87 | ALDH1A1 (0.47) | ALDH1A1KDM4ESMN1; SMN2KEAP1SIGMAR1 | |
| SCHEMBL17523829 | 0.87 | ALDH1A1 (0.47) | ALDH1A1KDM4ESMN1; SMN2KEAP1SIGMAR1 | |
| SCHEMBL17523893 | 0.85 | ALDH1A1 (0.42) | ALDH1A1KDM4ESMN1; SMN2KEAP1SIGMAR1 | |
| SCHEMBL17523882 | 0.85 | ALDH1A1 (0.42) | ALDH1A1KDM4ESMN1; SMN2KEAP1SIGMAR1 | |
| SCHEMBL19861221 | 0.85 | CHRM4 (0.39) | ALDH1A1KDM4ESIGMAR1HPGDKMT2A | |
| SCHEMBL17523961 | 0.84 | ALDH1A1 (0.41) | ALDH1A1KDM4ESMN1; SMN2KEAP1SIGMAR1 | |
| SCHEMBL17523959 | 0.84 | ALDH1A1 (0.41) | ALDH1A1KDM4ESMN1; SMN2KEAP1SIGMAR1 |
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 |
|---|---|---|---|---|---|---|---|
| US-9890198-B2 | Cyclosporin derivatives and uses thereof | S&T GLOBAL INC. (US) | 2018-02-13 | — | — | US | disclosed |