Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.61 |
| ▸ | NPC1 | O15118 | 1/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.61 |
| ▸ | HPGD | P15428 | 1/20 | 0.61 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.61 |
| ▸ | RAB9A | P51151 | 1/20 | 0.61 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | HRH1 | P35367 | 1/20 | 0.41 |
| ▸ | SCN1A | P35498 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.41 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 5/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | KEAP1 | Q14145 | 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 | |
|---|---|---|---|---|
| SCHEMBL20833279 | 0.98 | CYP2D6 (0.63) | CYP2D6KDM4ENPC1CYP1A2HPGD | |
| SCHEMBL20833147 | 0.98 | CYP2D6 (0.63) | CYP2D6KDM4ENPC1CYP1A2HPGD | |
| SCHEMBL20833053 | 0.98 | CYP2D6 (0.63) | CYP2D6KDM4ENPC1CYP1A2HPGD | |
| SCHEMBL14227426 | 0.93 | CYP2D6 (0.70) | CYP2D6KDM4ENPC1CYP1A2HPGD | |
| SCHEMBL16931709 | 0.93 | CYP2D6 (0.70) | CYP2D6KDM4ENPC1CYP1A2HPGD | |
| SCHEMBL14227427 | 0.93 | CYP2D6 (0.70) | CYP2D6KDM4ENPC1CYP1A2HPGD | |
| SCHEMBL19841237 | 0.93 | CYP2D6 (0.70) | CYP2D6KDM4ENPC1CYP1A2HPGD | |
| SCHEMBL20833321 | 0.93 | CYP2D6 (0.70) | CYP2D6KDM4ENPC1CYP1A2HPGD | |
| SCHEMBL3088977 | 0.93 | CYP2D6 (0.70) | CYP2D6KDM4ENPC1CYP1A2HPGD | |
| SCHEMBL16640675 | 0.93 | CYP2D6 (0.70) | CYP2D6KDM4ENPC1CYP1A2HPGD |
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-3066076-B1 | PROCESS FOR THE PREPARATION OF METHYLPHENIDATE AND PHARMACEUTICAL SALTS THEREOF | NORAMCO INC (US) | 2019-03-27 | — | — | EP | disclosed |