Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | TACR1 | P25103 | 4/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 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 | |
|---|---|---|---|---|
| SCHEMBL6207629 | 0.78 | LMNA (0.50) | CYP2D6TACR1CHRM2LMNAALDH1A1 | |
| SCHEMBL7493746 | 0.68 | KDM4E (0.55) | KDM4EHPGDTACR1ALDH1A1MEN1 | |
| SCHEMBL7464179 | 0.65 | CYP2C19 (0.42) | KDM4ENPC1CYP1A2CYP2D6HPGD | |
| SCHEMBL16709856 | 0.65 | KEAP1 (0.61) | KDM4ENPC1CYP1A2CYP2D6HPGD | |
| SCHEMBL16709845 | 0.65 | KEAP1 (0.61) | KDM4ENPC1CYP1A2CYP2D6HPGD | |
| SCHEMBL16709844 | 0.65 | KEAP1 (0.61) | KDM4ENPC1CYP1A2CYP2D6HPGD | |
| SCHEMBL20850805 | 0.65 | KEAP1 (0.61) | KDM4ENPC1CYP1A2CYP2D6HPGD | |
| SCHEMBL16709855 | 0.65 | KEAP1 (0.61) | KDM4ENPC1CYP1A2CYP2D6HPGD | |
| SCHEMBL16429047 | 0.65 | CYP2D6 (0.54) | KDM4ENPC1CYP1A2CYP2D6HPGD | |
| SCHEMBL6192056 | 0.65 | HSD11B1 (0.47) | LMNAALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2004080583-A2 | PROCESS FOR THE PREPARATION OF threo-METHYLPHENIDATE HYDROCHLORIDE | ISP INVESTMENTS INC. (US) | 2004-09-23 | — | — | WO | disclosed |
| WO-2004080959-A2 | PROCESS FOR THE PREPARATION OF DEXMETHYLPHENIDATE HYDROCHLORIDE | ISP INVESTMENTS INC. (US) | 2004-09-23 | — | — | WO | disclosed |