Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | BACE1 | P56817 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | GRM5 | P41594 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | CTSA | P10619 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4486268 | 0.88 | ACHE (0.42) | ALDH1A1CYP3A4ACHEKDM4ELMNA | |
| SCHEMBL4351022 | 0.87 | MEN1 (0.47) | ALDH1A1KDM4ELMNASMN1; SMN2KMT2A | |
| SCHEMBL4520093 | 0.85 | ALDH1A1 (0.45) | ALDH1A1KDM4ELMNASMN1; SMN2KMT2A | |
| SCHEMBL4482344 | 0.85 | LRRK2 (0.38) | KDM4EBACE1CTSA | |
| SCHEMBL2889816 | 0.81 | KDM4E (0.52) | ALDH1A1KDM4ELMNASMN1; SMN2KMT2A | |
| SCHEMBL28279054 | 0.79 | KDM4E (0.41) | ALDH1A1KDM4ELMNASMN1; SMN2MAPT | |
| SCHEMBL4346620 | 0.78 | ALDH1A1 (0.56) | ALDH1A1CYP3A4KDM4ELMNAKMT2A | |
| SCHEMBL4341622 | 0.77 | MAPT (0.54) | ALDH1A1CYP3A4KDM4ESMN1; SMN2KMT2A | |
| SCHEMBL4478644 | 0.77 | KDM4E (0.39) | ALDH1A1KDM4ELMNASMN1; SMN2KMT2A | |
| SCHEMBL4342691 | 0.77 | KDM4E (0.39) | ALDH1A1KDM4EKMT2A |
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-2009094205-A2 | 3-ARYL-6-ARYL-7H-[1,2,4]TRIAZOLO[3,4-B][1,3,4]THIADIAZINES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF | CYTOVIA, INC. (US) | 2009-07-30 | — | — | WO | disclosed |