Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | BCHE | P06276 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | FAAH | O00519 | 1/20 | 0.36 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.36 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.36 |
| ▸ | ELANE | P08246 | 1/20 | 0.36 |
| ▸ | PRTN3 | P24158 | 1/20 | 0.36 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.36 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | CTSB | P07858 | 1/20 | 0.34 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL22288776 | 0.92 | CA2 (0.38) | KMT2ABCHEACHEFAAHPRSS1 | |
| SCHEMBL28638050 | 0.86 | L3MBTL1 (0.41) | KMT2ABCHEACHEALDH1A1CYP19A1 | |
| SCHEMBL22288882 | 0.85 | BCHE (0.39) | KMT2ABCHEACHEALDH1A1GAA | |
| SCHEMBL22288748 | 0.84 | HTT (0.46) | KMT2ABCHEACHEALDH1A1CYP19A1 | |
| SCHEMBL22288515 | 0.82 | L3MBTL1 (0.38) | KMT2ABCHEACHEKCNA5ALDH1A1 | |
| SCHEMBL22315707 | 0.82 | POLB (0.38) | KMT2AALDH1A1EPHX1SMN1; SMN2LMNA | |
| SCHEMBL776238 | 0.78 | SMN1; SMN2 (0.42) | ALDH1A1EPHX1SMN1; SMN2LMNACTSB | |
| SCHEMBL22316955 | 0.76 | CTSB (0.32) | BCHEACHEALDH1A1EPHX1SMN1; SMN2 | |
| SCHEMBL22288891 | 0.76 | ALDH1A1 (0.40) | KMT2AFAAHPRSS1PRSS2ELANE | |
| SCHEMBL22288434 | 0.76 | ALDH1A1 (0.41) | KMT2AFAAHPRSS1PRSS2ELANE |
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 |
|---|---|---|---|---|---|---|---|
| EP-3917909-A1 | DISULPHIDE COMPOUNDS | Neem Biotech Limited (GB) | 2021-12-08 | — | — | EP | disclosed |
| CN-113382981-A | Disulfide compounds | 尼姆生物科技有限公司 | 2021-09-10 | — | — | CN | disclosed |
| WO-2020157463-A1 | DISULPHIDE COMPOUNDS | NEEM BIOTECH LIMITED (GB) | 2020-08-06 | — | — | WO | disclosed |
| WO-2020157463-A1 | DISULPHIDE COMPOUNDS | NEEM BIOTECH LIMITED (GB) | 2020-08-06 | — | — | WO | disclosed |