Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | OPRL1 | P41146 | 4/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | XBP1 | P17861 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.35 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.35 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.35 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.35 |
| ▸ | LDHA | P00338 | 1/20 | 0.35 |
| ▸ | LDHB | P07195 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9232067 | 0.89 | TP53 (0.49) | TP53RECQLOPRL1ADRA1ASMN1; SMN2 | |
| SCHEMBL30118017 | 0.79 | MAP1LC3B (0.41) | HTR2AHTR2CHTR2BSMN1; SMN2ALDH1A1 | |
| SCHEMBL2025811 | 0.78 | HTR2A (0.42) | OPRL1HTR2AHTR2CHTR2B | |
| SCHEMBL1897406 | 0.77 | TP53 (0.57) | TP53RECQLOPRL1HTR2AHTR2C | |
| SCHEMBL8747411 | 0.76 | TP53 (0.53) | TP53RECQLOPRL1HTR2AHTR2C | |
| Charcoal, Activated SCHEMBL5897477 | 0.75 | TP53 (0.55) | TP53RECQLOPRL1HTR2AHTR2C | |
| SCHEMBL8036501 | 0.74 | AKR1C3 (0.52) | LMNA | |
| SCHEMBL12505573 | 0.73 | TP53 (0.40) | TP53RECQLOPRL1HTR2AHTR2C | |
| SCHEMBL18610906 | 0.73 | TP53 (0.46) | TP53RECQLOPRL1HTR2AHTR2C | |
| SCHEMBL10978690 | 0.73 | TP53 (0.50) | TP53RECQLOPRL1HTR2AHTR2C |
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 |
|---|---|---|---|---|---|---|---|
| EP-2139848-A1 | DEUTERIUM LABELLED KETAMINE | Auspex Pharmaceuticals, Inc. (US) | 2010-01-06 | — | — | EP | disclosed |
| WO-2008134525-A1 | DEUTERIUM LABELLED KETAMINE | AUSPEX PHARMAEUTICALS, INC. (US) | 2008-11-06 | — | — | WO | disclosed |