Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | USP2 | O75604 | 2/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | MMP13 | P45452 | 1/20 | 0.35 |
| ▸ | TYMS | P04818 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.34 |
| ▸ | PYGL | P06737 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL10852766 | 0.84 | RAB9A (0.46) | NPC1RAB9AMEN1KMT2AALDH1A1 | |
| SCHEMBL21724331 | 0.83 | PYCR1 (0.39) | NPC1RAB9AMEN1KMT2AALDH1A1 | |
| SCHEMBL21724804 | 0.82 | DAO (0.43) | NPC1RAB9AALDH1A1SMN1; SMN2HTT | |
| SCHEMBL21723902 | 0.82 | MTOR (0.38) | NPC1RAB9AMEN1KMT2AALDH1A1 | |
| SCHEMBL21723914 | 0.82 | PYCR1 (0.41) | NPC1RAB9AMEN1KMT2AALDH1A1 | |
| SCHEMBL21723969 | 0.82 | ALDH1A1 (0.39) | NPC1RAB9AHDAC1MEN1KMT2A | |
| SCHEMBL21723676 | 0.82 | NPC1 (0.34) | NPC1RAB9AMEN1KMT2AALDH1A1 | |
| SCHEMBL21724768 | 0.81 | PYCR1 (0.44) | MEN1KMT2AALDH1A1SMN1; SMN2HTT | |
| SCHEMBL21723672 | 0.81 | PYCR1 (0.44) | NPC1RAB9AHDAC1MEN1KMT2A | |
| SCHEMBL21723609 | 0.79 | KMT2A (0.43) | MEN1KMT2AALDH1A1SMN1; SMN2TSHR |
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 |