Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | TSPO | P30536 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.35 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL21723970 | 0.89 | SMN1; SMN2 (0.45) | HDAC1SMN1; SMN2KDM4EHRH3CYP1A2 | |
| SCHEMBL21724539 | 0.86 | SMN1; SMN2 (0.51) | HDAC1SMN1; SMN2KDM4EALDH1A1MEN1 | |
| SCHEMBL21723648 | 0.83 | ALDH1A1 (0.48) | SMN1; SMN2ALDH1A1MEN1KMT2AHTT | |
| SCHEMBL21723902 | 0.80 | MTOR (0.38) | ALDH1A1MEN1KMT2ACYP3A4HTT | |
| SCHEMBL21724014 | 0.80 | POLB (0.42) | SMN1; SMN2KDM4EALDH1A1GAATSPO | |
| SCHEMBL21724517 | 0.79 | LSS (0.42) | ALDH1A1MEN1KMT2ANR1H4 | |
| SCHEMBL21724331 | 0.78 | PYCR1 (0.39) | SMN1; SMN2ALDH1A1TSPOMEN1KMT2A | |
| SCHEMBL21723969 | 0.77 | ALDH1A1 (0.39) | HDAC1KDM4EALDH1A1MEN1KMT2A | |
| SCHEMBL21723914 | 0.77 | PYCR1 (0.41) | KDM4EALDH1A1GAAMEN1KMT2A | |
| SCHEMBL21724804 | 0.77 | DAO (0.43) | SMN1; SMN2ALDH1A1LMNAHTT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020035826-A1 | 1,2-DITHIOLONE COMPOUNDS AND USE THEREOF | PI INDUSTRIES LTD. (IN) | 2020-02-20 | — | — | WO | claimed |
| WO-2020035826-A1 | 1,2-DITHIOLONE COMPOUNDS AND USE THEREOF | PI INDUSTRIES LTD. (IN) | 2020-02-20 | — | — | WO | disclosed |