Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 4/20 | 0.54 |
| ▸ | CES1 | P23141 | 4/20 | 0.54 |
| ▸ | BCHE | P06276 | 1/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | ALB | P02768 | 1/20 | 0.36 |
| ▸ | ERN1 | O75460 | 1/20 | 0.36 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | BDKRB1 | P46663 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.32 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6920215 | 0.82 | CES2 (0.50) | CES2CES1HPGDGAAKMT2A | |
| SCHEMBL28370184 | 0.82 | CES2 (0.50) | CES2CES1HPGDGAAKMT2A | |
| SCHEMBL4787890 | 0.82 | CES2 (0.50) | CES2CES1HPGDGAAKMT2A | |
| SCHEMBL27248223 | 0.80 | CES2 (0.47) | CES2CES1BCHEHPGDALB | |
| SCHEMBL16953030 | 0.79 | CES2 (0.60) | CES2CES1BCHEHPGDALB | |
| SCHEMBL2575677 | 0.79 | CES2 (0.55) | CES2CES1BCHEHPGDALB | |
| SCHEMBL2575679 | 0.79 | CES2 (0.55) | CES2CES1BCHEHPGDALB | |
| SCHEMBL2093979 | 0.78 | CES2 (0.54) | CES2CES1BCHEHPGDALB | |
| SCHEMBL16935755 | 0.77 | CES2 (0.58) | CES2CES1BCHEHPGDALB | |
| SCHEMBL16953851 | 0.77 | CES2 (0.58) | CES2CES1BCHEHPGDALB |
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-2012087777-A1 | FUSED HETEROCYCLIC INDANE CARBOXAMIDE CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2012-06-28 | — | — | WO | disclosed |