Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | HSD17B2 | P37059 | 4/20 | 0.45 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.43 |
| ▸ | CAMKK2 | Q96RR4 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | BCHE | P06276 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | CMA1 | P23946 | 1/20 | 0.43 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.42 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL21723869 | 0.85 | GRIN1 (0.37) | SMN1; SMN2HSD17B2GRIN1ALDH1A1 | |
| SCHEMBL21724598 | 0.85 | CETP (0.44) | — | |
| SCHEMBL21723648 | 0.84 | ALDH1A1 (0.48) | SMN1; SMN2MEN1KMT2ABCHEACHE | |
| SCHEMBL21723951 | 0.84 | PYCR1 (0.48) | BCHEACHEAOC3RECQLALDH1A1 | |
| SCHEMBL21723933 | 0.82 | MEN1 (0.46) | HSD17B2MEN1KMT2AHPGDGRIN1 | |
| SCHEMBL21724535 | 0.82 | PYCR1 (0.46) | TP53MAPTBCHE | |
| SCHEMBL21723420 | 0.81 | HSP90AA1 (0.46) | KMT2AACHEAOC3ALDH1A1 | |
| SCHEMBL21723910 | 0.80 | PYCR1 (0.52) | SMN1; SMN2LMNAMAPTACHEPOLB | |
| SCHEMBL21724255 | 0.80 | HSD17B10 (0.46) | AOC3ALDH1A1 | |
| SCHEMBL21724251 | 0.80 | ALDH1A1 (0.49) | SMN1; SMN2TP53MAPTMEN1KMT2A |
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 |