Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 6/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | CES2 | O00748 | 3/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | DAO | P14920 | 1/20 | 0.42 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.40 |
| ▸ | GSK3B | P49841 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | CA4 | P22748 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | CA12 | O43570 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA9 | Q16790 | 2/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8634365 | 0.81 | CES1 (0.54) | CES1ALDH1A1CES2TSHRDAO | |
| SCHEMBL6656819 | 0.81 | CES1 (0.54) | CES1ALDH1A1CES2TSHRDAO | |
| SCHEMBL562773 | 0.79 | CES1 (0.52) | CES1ALDH1A1CES2TSHRDAO | |
| SCHEMBL6206843 | 0.76 | CES1 (0.48) | CES1ALDH1A1CES2TSHRDAO | |
| SCHEMBL6206848 | 0.76 | CES1 (0.48) | CES1ALDH1A1CES2TSHRDAO | |
| SCHEMBL23698003 | 0.75 | CES1 (0.50) | CES1ALDH1A1CES2TSHRDAO | |
| SCHEMBL8461140 | 0.75 | CES1 (0.50) | CES1ALDH1A1CES2TSHRDAO | |
| SCHEMBL9056053 | 0.75 | CES1 (0.50) | CES1ALDH1A1CES2TSHRDAO | |
| SCHEMBL28449348 | 0.73 | CES1 (0.48) | CES1ALDH1A1CES2TSHRDAO | |
| SCHEMBL6206851 | 0.72 | CES1 (0.48) | CES1ALDH1A1CES2TSHRDAO |
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-2008035381-A2 | PROCESS FOR THE PREPARATION OF AMINE DERIVATIVES AS CALCIMIMETICS | IND-SWIFT LABORATORIES LIMITED (IN) | 2008-03-27 | — | — | WO | disclosed |