Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PYCR1 | P32322 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 4/20 | 0.35 |
| ▸ | NPC1 | O15118 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | LIPE | Q05469 | 1/20 | 0.34 |
| ▸ | CNR1 | P21554 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | BRD4 | O60885 | 1/20 | 0.34 |
| ▸ | TSPO | P30536 | 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 | |
|---|---|---|---|---|
| SCHEMBL21723969 | 0.86 | ALDH1A1 (0.39) | TP53MAPTALDH1A1HTTRAB9A | |
| SCHEMBL21723902 | 0.86 | MTOR (0.38) | HSP90AA1ALDH1A1HTTRAB9ANPC1 | |
| SCHEMBL21724804 | 0.86 | DAO (0.43) | PYCR1MAPTSMN1; SMN2ALDH1A1HTT | |
| SCHEMBL21723914 | 0.86 | PYCR1 (0.41) | PYCR1MAPTALDH1A1HTTRAB9A | |
| SCHEMBL10852766 | 0.86 | RAB9A (0.46) | MAPTSMN1; SMN2ALDH1A1RAB9ANPC1 | |
| SCHEMBL21723672 | 0.85 | PYCR1 (0.44) | PYCR1SMN1; SMN2ALDH1A1HTTRAB9A | |
| SCHEMBL21724030 | 0.84 | ALDH1A1 (0.36) | MAPTALDH1A1HTTRAB9ALMNA | |
| SCHEMBL21723648 | 0.84 | ALDH1A1 (0.48) | PYCR1HSP90AA1SMN1; SMN2ALDH1A1HTT | |
| SCHEMBL21723609 | 0.84 | KMT2A (0.43) | MAPTSMN1; SMN2ALDH1A1LMNAMEN1 | |
| SCHEMBL21723975 | 0.83 | NPC1 (0.36) | SMN1; SMN2ALDH1A1HTTRAB9ANPC1 |
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 |