Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DAO | P14920 | 1/20 | 0.43 |
| ▸ | PYCR1 | P32322 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | MITF | O75030 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | BCL2A1 | Q16548 | 1/20 | 0.36 |
| ▸ | NSD2 | O96028 | 1/20 | 0.36 |
| ▸ | PPARA | Q07869 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 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 | |
|---|---|---|---|---|
| SCHEMBL21724331 | 0.86 | PYCR1 (0.39) | PYCR1RAB9AMAPTNPC1ALDH1A1 | |
| SCHEMBL21723914 | 0.85 | PYCR1 (0.41) | PYCR1TDP1RAB9AMAPTNPC1 | |
| SCHEMBL21723902 | 0.85 | MTOR (0.38) | RAB9ANPC1ALDH1A1HTT | |
| SCHEMBL21723969 | 0.85 | ALDH1A1 (0.39) | TDP1RAB9AMAPTNPC1ALDH1A1 | |
| SCHEMBL10852766 | 0.84 | RAB9A (0.46) | RAB9AMAPTNPC1ALDH1A1SMN1; SMN2 | |
| SCHEMBL21724768 | 0.84 | PYCR1 (0.44) | DAOPYCR1ALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL21723672 | 0.84 | PYCR1 (0.44) | PYCR1RAB9ANPC1ALDH1A1LMNA | |
| SCHEMBL21723933 | 0.83 | MEN1 (0.46) | TDP1RIPK1NPC1ALDH1A1TAAR1 | |
| SCHEMBL21723974 | 0.82 | CNR2 (0.41) | PYCR1TDP1RIPK1ALDH1A1BCL2A1 | |
| SCHEMBL21723609 | 0.82 | KMT2A (0.43) | MAPTALDH1A1LMNASMN1; SMN2 |
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-2020035826-A1 | 1,2-DITHIOLONE COMPOUNDS AND USE THEREOF | PI INDUSTRIES LTD. (IN) | 2020-02-20 | — | — | WO | disclosed |