Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.43 |
| ▸ | CES1 | P23141 | 2/20 | 0.43 |
| ▸ | DHODH | Q02127 | 2/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | SIRT1 | Q96EB6 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | NCEH1 | Q6PIU2 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | KDM2B | Q8NHM5 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL16309346 | 0.81 | CES2 (0.67) | CES2CES1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL27709607 | 0.79 | SLC9A1 (0.59) | LMNASMN1; SMN2 | |
| SCHEMBL203205 | 0.76 | DHODH (0.55) | CES2CES1DHODHCYP2A6NCEH1 | |
| SCHEMBL30020656 | 0.76 | DHODH (0.55) | CES2CES1DHODHCYP2A6NCEH1 | |
| SCHEMBL264367 | 0.75 | CYP2A6 (0.55) | CES2CES1DHODHCYP2A6LMNA | |
| SCHEMBL30350490 | 0.75 | CYP2A6 (0.55) | CES2CES1DHODHCYP2A6LMNA | |
| Hydrochloric Acid SCHEMBL1001004 | 0.75 | DHODH (0.54) | DHODHCYP2A6NCEH1MEN1KMT2A | |
| SCHEMBL613558 | 0.75 | LCK (0.62) | CES2CES1DHODHCYP2A6LMNA | |
| SCHEMBL203740 | 0.75 | CYP2A6 (0.46) | CES2CES1DHODHCYP2A6SIRT1 | |
| Potassium Ion SCHEMBL31096456 | 0.73 | CA1 (0.59) | CES2CES1DHODHCYP2A6SIRT1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2993169-A1 | ARYL-PYRIDINE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS | Novartis AG (CH) | 2016-03-09 | — | — | EP | disclosed |