Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 4/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.35 |
| ▸ | FFAR3 | O14843 | 3/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.31 |
| ▸ | DGKA | P23743 | 1/20 | 0.30 |
| ▸ | ENPP2 | Q13822 | 4/20 | 0.30 |
| ▸ | BCL9 | O00512 | 1/20 | 0.30 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.30 |
| ▸ | CTSD | P07339 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1117108 | 0.88 | ALDH1A1 (0.55) | ALDH1A1LMNACES2CES1TSHR | |
| SCHEMBL27946045 | 0.87 | CES1 (0.41) | ALDH1A1LMNACES2CES1TSHR | |
| SCHEMBL4598746 | 0.86 | ALDH1A1 (0.52) | ALDH1A1LMNACES2CES1TSHR | |
| Ammonia Solution, Strong SCHEMBL27492279 | 0.82 | DGKA (0.50) | LMNACES2CES1TSHRDGKA | |
| SCHEMBL8707556 | 0.81 | ALDH1A1 (0.35) | ALDH1A1LMNATSHRFFAR3CYP3A4 | |
| SCHEMBL19328255 | 0.80 | ALDH1A1 (0.46) | ALDH1A1LMNACES2CES1TSHR | |
| SCHEMBL1735131 | 0.80 | TSHR (0.50) | ALDH1A1LMNACES2CES1TSHR | |
| SCHEMBL11508278 | 0.78 | ALDH1A1 (0.44) | ALDH1A1LMNACES2CES1TSHR | |
| SCHEMBL28156891 | 0.78 | ALDH1A1 (0.44) | ALDH1A1LMNACES2CES1TSHR | |
| SCHEMBL60769 | 0.76 | ALDH1A1 (0.52) | ALDH1A1LMNACES2CES1TSHR |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6376683-B1 | ESTERIFICATION OF MALIC ACID WITH ALCOHOL; REDUCTION; CYCLIZATION | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) | 2002-04-23 | — | — | US | claimed |
| CN-110495042-A | Electrolyte solution for lithium ion secondary battery, lithium ion secondary battery and component | DAIKIN IND LTD | 2019-11-22 | — | — | CN | disclosed |
| CN-110495041-A | Electrolyte, electrochemical device, lithium ion secondary battery and component | DAIKIN IND LTD | 2019-11-22 | — | — | CN | disclosed |
| EP-3468363-A1 | USE OF N-SUBSTITUTED PYRROLIDONES TO PROMOTE THE PENETRATION OF AGROCHEMICAL ACTIVE AGENTS | Clariant International Ltd (CH) | 2019-04-17 | — | — | EP | disclosed |
| CN-103460495-B | Nonaqueous electrolytic solution and employ the electric energy storage device of this nonaqueous electrolytic solution | UBE INDUSTRIES, LTD. (JP) | 2016-01-27 | — | — | CN | disclosed |
| CN-103460495-A | Non-aqueous electrolyte solution and electricity-storage device using same | UBE INDUSTRIES | 2013-12-18 | — | — | CN | disclosed |