Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | HPGDS | O60760 | 3/20 | 0.38 |
| ▸ | SLC18A3 | Q16572 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | LDLR | P01130 | 1/20 | 0.36 |
| ▸ | PCSK9 | Q8NBP7 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | ATP1A1 | P05023 | 3/20 | 0.35 |
| ▸ | ATP1B1 | P05026 | 3/20 | 0.35 |
| ▸ | ATP1A3 | P13637 | 3/20 | 0.35 |
| ▸ | ATP1B2 | P14415 | 3/20 | 0.35 |
| ▸ | ATP1A2 | P50993 | 3/20 | 0.35 |
| ▸ | ATP1B3 | P54709 | 3/20 | 0.35 |
| ▸ | FXYD2 | P54710 | 3/20 | 0.35 |
| ▸ | ATP1A4 | Q13733 | 3/20 | 0.35 |
| ▸ | PIM1 | P11309 | 1/20 | 0.35 |
| ▸ | PIM3 | Q86V86 | 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 | |
|---|---|---|---|---|
| SCHEMBL27217014 | 0.74 | CYP1A2 (0.51) | CYP1A2CYP3A4CYP2D6HPGDSGAA | |
| SCHEMBL27217262 | 0.73 | CYP1A2 (0.54) | CYP1A2CYP3A4CYP2D6HPGDSGAA | |
| SCHEMBL27217047 | 0.73 | CYP1A2 (0.50) | CYP1A2CYP3A4CYP2D6HPGDSGAA | |
| SCHEMBL10964453 | 0.68 | SLC18A3 (0.54) | HTR2ASLC18A3 | |
| SCHEMBL5923778 | 0.68 | SLC18A3 (0.54) | HTR2ASLC18A3 | |
| SCHEMBL10964458 | 0.68 | SLC18A3 (0.54) | HTR2ASLC18A3 | |
| SCHEMBL8273744 | 0.68 | SLC18A3 (0.54) | HTR2ASLC18A3 | |
| SCHEMBL10964208 | 0.68 | SLC18A3 (0.54) | HTR2ASLC18A3 | |
| SCHEMBL27217188 | 0.68 | CYP1A2 (0.47) | CYP1A2CYP3A4CYP2D6HPGDSGAA | |
| SCHEMBL27217268 | 0.65 | CYP1A2 (0.47) | CYP1A2CYP3A4CYP2D6HPGDSGAA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010114978-A1 | RENIN INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2010-10-07 | — | — | WO | disclosed |