Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | HTR1A | P08908 | 1/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.44 |
| ▸ | PDE6A | P16499 | 1/20 | 0.44 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.44 |
| ▸ | MC4R | P32245 | 1/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.44 |
| ▸ | HRH1 | P35367 | 1/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.44 |
| ▸ | DRD3 | P35462 | 1/20 | 0.44 |
| ▸ | MC3R | P41968 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL43183 | 0.80 | TSHR (0.74) | TSHRCYP2C19CYP2D6TAAR1LMNA | |
| SCHEMBL355040 | 0.78 | TSHR (0.71) | TSHRCYP2C19CYP2D6TAAR1LMNA | |
| Hydrochloric Acid SCHEMBL2139953 | 0.78 | TSHR (0.71) | TSHRCYP2C19CYP2D6TAAR1LMNA | |
| SCHEMBL9214815 | 0.78 | TSHR (0.53) | TSHRTAAR1KMT2ACNR2GLA | |
| SCHEMBL8504883 | 0.77 | ALDH1A1 (0.45) | TSHRLMNACNR2SMN1; SMN2BLM | |
| SCHEMBL7354472 | 0.77 | TSHR (0.63) | TSHRCYP2C19CYP2D6TAAR1LMNA | |
| Nitrogen SCHEMBL4599425 | 0.76 | TSHR (0.68) | TSHRCYP2C19CYP2D6TAAR1LMNA | |
| SCHEMBL2960872 | 0.75 | CYP2C19 (0.78) | TSHRCYP2C19CYP2D6TAAR1LMNA | |
| SCHEMBL2584302 | 0.73 | PYCR1 (0.66) | TSHRLMNAKMT2ASMN1; SMN2BLM | |
| SCHEMBL4160244 | 0.73 | TSHR (0.59) | TSHRCYP2C19CYP2D6TAAR1LMNA |
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-1377542-A1 | HIV PROTEASE INHIBITORS BASED ON AMINO ACID DERIVATIVES | Pharmacor Inc. (CA) | 2004-01-07 | — | — | EP | disclosed |
| WO-2002064551-A1 | HIV PROTEASE INHIBITORS BASED ON AMINO ACID DERIVATIVES | PHARMACOR INC. (CA) | 2002-08-22 | — | — | WO | disclosed |