Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 7/20 | 0.67 |
| ▸ | GAA | P10253 | 2/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | CES1 | P23141 | 6/20 | 0.52 |
| ▸ | CPT1B | Q92523 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 3/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | LMNA | P02545 | 3/20 | 0.50 |
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CA3 | P07451 | 1/20 | 0.45 |
| ▸ | TYR | P14679 | 1/20 | 0.45 |
| ▸ | DRD1 | P21728 | 1/20 | 0.45 |
| ▸ | CA4 | P22748 | 1/20 | 0.45 |
| ▸ | CA6 | P23280 | 1/20 | 0.45 |
| ▸ | CA5A | P35218 | 1/20 | 0.45 |
| ▸ | CA7 | P43166 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL4353902 | 0.90 | GAA (0.65) | CES2GAACYP2C19CES1MEN1 | |
| SCHEMBL12997589 | 0.90 | GAA (0.65) | CES2GAACYP2C19CES1MEN1 | |
| SCHEMBL2508991 | 0.83 | CES2 (0.68) | CES2GAACYP2C19CES1MEN1 | |
| SCHEMBL2508989 | 0.83 | CES2 (0.68) | CES2GAACYP2C19CES1MEN1 | |
| SCHEMBL2370346 | 0.81 | CES2 (1.00) | CES2CES1CPT1BMEN1KMT2A | |
| SCHEMBL11457089 | 0.79 | CPT1B (0.54) | CES2GAACYP2C19CPT1BMEN1 | |
| SCHEMBL11457091 | 0.79 | CPT1B (0.54) | CES2GAACYP2C19CPT1BMEN1 | |
| SCHEMBL6166550 | 0.79 | KMT2A (0.57) | CES2GAACYP2C19CES1MEN1 | |
| SCHEMBL8920530 | 0.79 | KMT2A (0.57) | CES2GAACYP2C19CES1MEN1 | |
| SCHEMBL6166547 | 0.79 | KMT2A (0.57) | CES2GAACYP2C19CES1MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5175368-A | Hydrogenating aryl alpha-oximinoalkyl ketones in aqueous medium containing hydrochlroic acid, recovering salt | HOECHST CELANESE CORPORATION (US) | 1992-12-29 | — | — | US | disclosed |
| EP-0491557-A1 | Process for the preparation of arylalkylamines and substituted arylalkylamines | HOECHST CELANESE CORPORATION (US) | 1992-06-24 | — | — | EP | disclosed |