Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.45 |
| ▸ | HTT | P42858 | 3/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | HPGD | P15428 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | PKM | P14618 | 2/20 | 0.45 |
| ▸ | ATM | Q13315 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | NLRP1 | Q9C000 | 1/20 | 0.45 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.45 |
| ▸ | CES2 | O00748 | 3/20 | 0.44 |
| ▸ | CES1 | P23141 | 3/20 | 0.44 |
| ▸ | GSK3B | P49841 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 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 | |
|---|---|---|---|---|
| SCHEMBL28615101 | 1.00 | ALDH1A1 (0.45) | ALDH1A1HTTNPSR1LMNAHPGD | |
| SCHEMBL28615013 | 0.80 | CES2 (0.46) | ALDH1A1NPSR1LMNAHPGDKMT2A | |
| SCHEMBL28472161 | 0.78 | CES2 (0.44) | ALDH1A1LMNAHPGDATMCES2 | |
| SCHEMBL28619042 | 0.78 | CES2 (0.44) | ALDH1A1LMNAHPGDATMCES2 | |
| SCHEMBL28603750 | 0.78 | CES2 (0.44) | SMN1; SMN2CES2CES1MAPTNPC1 | |
| SCHEMBL9617356 | 0.78 | CES2 (0.50) | ALDH1A1NPSR1LMNAHPGDKMT2A | |
| SCHEMBL28612303 | 0.78 | CES2 (0.50) | ALDH1A1NPSR1LMNAHPGDKMT2A | |
| SCHEMBL28970816 | 0.78 | MAPT (0.50) | ALDH1A1HPGDKMT2ASMN1; SMN2TDP1 | |
| SCHEMBL28617821 | 0.78 | ALDH1A1 (0.45) | ALDH1A1HTTNPSR1LMNAHPGD | |
| SCHEMBL28609678 | 0.78 | HDAC1 (0.46) | ALDH1A1HTTLMNAKMT2ASMN1; SMN2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111840261-A | Deacetylase agonist and application thereof | 广州中医药大学(广州中医药研究院) | 2020-10-30 | — | — | CN | disclosed |
| EP-1109551-A4 | 4-AMINO-3-MERCAPTO-1,2,4-TRIAZOLES | COMPETITIVE TECH INC (US) | 2004-10-20 | — | — | EP | disclosed |
| EP-1109551-A1 | 4-AMINO-3-MERCAPTO-1,2,4-TRIAZOLES | Competitive Technologies, Inc. (US) | 2001-06-27 | — | — | EP | disclosed |
| WO-2000010564-A1 | 4-AMINO-3-MERCAPTO-1,2,4-TRIAZOLES | COMPETITIVE TECHNOLOGIES, INC. (US) | 2000-03-02 | — | — | WO | disclosed |