Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 2/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | CES1 | P23141 | 1/20 | 0.34 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.34 |
| ▸ | KIF11 | P52732 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL1774301 | 0.78 | CYP2C19 (0.41) | MAPK1ALDH1A1SMN1; SMN2LMNAKMT2A | |
| SCHEMBL22992359 | 0.78 | ALDH1A1 (0.47) | MAPK1ALDH1A1KDM4ESMN1; SMN2LMNA | |
| SCHEMBL26121852 | 0.77 | THRB (0.51) | MAPK1ALDH1A1KDM4ESMN1; SMN2ALOX15 | |
| SCHEMBL8491492 | 0.77 | MAPT (0.35) | MAPK1ALDH1A1KDM4ESMN1; SMN2LMNA | |
| SCHEMBL230116 | 0.76 | POLB (0.42) | MAPK1ALDH1A1KMT2AKCNN4CYP2C19 | |
| SCHEMBL341054 | 0.76 | CYP2C19 (0.44) | MAPK1ALDH1A1KDM4ESMN1; SMN2LMNA | |
| SCHEMBL27634244 | 0.76 | CYP2C19 (0.39) | MAPK1ALDH1A1KDM4ESMN1; SMN2KMT2A | |
| SCHEMBL22992412 | 0.75 | MEN1 (0.33) | ALDH1A1SMN1; SMN2KMT2AMEN1ALOX15 | |
| SCHEMBL1546508 | 0.74 | NR3C2 (0.39) | MAPK1ALDH1A1KDM4ELMNAKMT2A | |
| SCHEMBL28285750 | 0.74 | TAAR1 (0.47) | MAPK1ALDH1A1SMN1; SMN2LMNAKMT2A |
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-3189840-A1 | METHYLPHENIDATE-PRODRUGS, PROCESSES OF MAKING AND USING THE SAME | Kempharm, Inc. (US) | 2017-07-12 | — | — | EP | disclosed |