Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | HRH1 | P35367 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | STAT1 | P42224 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL15000428 | 0.79 | KCNH2 (0.43) | SLC6A3ADORA2AALDH1A1DRD2HTR2A | |
| SCHEMBL28958748 | 0.75 | HRH4 (0.38) | HRH4HRH3SMN1; SMN2CYP1A2CYP2D6 | |
| Hydrochloric Acid SCHEMBL6090064 | 0.74 | SLC6A3 (0.43) | SLC6A3SMN1; SMN2ADORA2AALDH1A1DRD2 | |
| SCHEMBL28906001 | 0.73 | SLC6A3 (0.43) | SLC6A3SMN1; SMN2ADORA2AALDH1A1DRD2 | |
| SCHEMBL28958745 | 0.71 | HPGD (0.56) | HRH4HRH3LMNAALDH1A1TSHR | |
| SCHEMBL28958749 | 0.70 | HDAC1 (0.47) | HRH4HRH3CYP1A2CYP2D6CYP2C19 | |
| Bicarbonate SCHEMBL29143008 | 0.69 | ADORA2A (0.47) | SLC6A3SMN1; SMN2ADORA2AALDH1A1DRD2 | |
| SCHEMBL18938015 | 0.68 | SLC6A3 (0.41) | SLC6A3CYP2D6CYP2C19ADORA2AALDH1A1 | |
| SCHEMBL16603147 | 0.68 | SLC6A3 (0.46) | SLC6A3ADORA2AALDH1A1DRD2HTR2A | |
| SCHEMBL517979 | 0.67 | KCNH2 (0.58) | HRH4HRH3SMN1; SMN2CYP1A2CYP2D6 |
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-1509537-A2 | CELLULAR ACCUMULATION OF PHOSPHONATE ANALOGS OF HIV PROTEASE INHIBITOR COMPOUNDS AND THE COMPOUNDS AS SUCH | GILEAD SCIENCES, INC. (US) | 2005-03-02 | — | — | EP | disclosed |
| WO-2003090690-A2 | CELLULAR ACCUMULATION OF PHOSPHONATE ANALOGS OF HIV PROTEASE INHIBITOR COMPOUNDS AND THE COMPOUNDS AS SUCH | GILEAD SCIENCES, INC. (US) | 2003-11-06 | — | — | WO | disclosed |