Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 4/20 | 0.56 |
| ▸ | KCNN4 | O15554 | 5/20 | 0.50 |
| ▸ | CES2 | O00748 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | DAO | P14920 | 1/20 | 0.48 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | SRC | P12931 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | PARP1 | P09874 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL1508202 | 1.00 | CES1 (0.56) | CES1KCNN4CES2TSHRDAO | |
| SCHEMBL4602257 | 0.93 | CES1 (0.50) | CES1KCNN4CES2TSHRDAO | |
| SCHEMBL30610236 | 0.85 | CES1 (0.55) | CES1KCNN4CES2ALDH1A1CYP1A2 | |
| SCHEMBL17080312 | 0.83 | CES1 (0.58) | CES1KCNN4CES2ALDH1A1L3MBTL1 | |
| SCHEMBL1666976 | 0.80 | CES1 (0.61) | CES1KCNN4CES2TSHRDAO | |
| SCHEMBL242506 | 0.78 | CES1 (0.54) | CES1CES2TSHRDAONAPRT | |
| SCHEMBL562162 | 0.78 | CES1 (0.54) | CES1CES2TSHRDAONAPRT | |
| SCHEMBL1079930 | 0.78 | CES1 (0.54) | CES1CES2TSHRDAONAPRT | |
| SCHEMBL6248474 | 0.78 | CES1 (0.54) | CES1CES2TSHRDAONAPRT | |
| SCHEMBL252920 | 0.78 | CES1 (0.54) | CES1CES2TSHRDAONAPRT |
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 |
|---|---|---|---|---|---|---|---|
| US-8674135-B2 | Functionalized ionic liquids, and methods of use thereof | UNIVERSITY OF SOUTH ALABAMA (US) | 2014-03-18 | — | — | US | disclosed |