Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTOR | P42345 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 4/20 | 0.36 |
| ▸ | NPC1 | O15118 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | BCHE | P06276 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.34 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.34 |
| ▸ | EGFR | P00533 | 1/20 | 0.34 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | CAMK2A | Q9UQM7 | 1/20 | 0.33 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.33 |
| ▸ | PDK4 | Q16654 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL21724331 | 0.86 | PYCR1 (0.39) | RAB9ANPC1ALDH1A1HTTMEN1 | |
| SCHEMBL21723914 | 0.85 | PYCR1 (0.41) | RAB9ANPC1ALDH1A1HTTMEN1 | |
| SCHEMBL21723969 | 0.85 | ALDH1A1 (0.39) | RAB9ANPC1ALDH1A1HTTMEN1 | |
| SCHEMBL21724804 | 0.85 | DAO (0.43) | RAB9ANPC1ALDH1A1HTT | |
| SCHEMBL10852766 | 0.84 | RAB9A (0.46) | RAB9ANPC1ALDH1A1MEN1KMT2A | |
| SCHEMBL21723980 | 0.84 | CA2 (0.45) | ALDH1A1BLMCA2HSP90AA1 | |
| SCHEMBL21723672 | 0.84 | PYCR1 (0.44) | RAB9ANPC1ALDH1A1HTTMEN1 | |
| SCHEMBL21723609 | 0.82 | KMT2A (0.43) | ALDH1A1MEN1KMT2A | |
| SCHEMBL21723648 | 0.82 | ALDH1A1 (0.48) | ALDH1A1HTTBCHEACHEMEN1 | |
| SCHEMBL21723975 | 0.82 | NPC1 (0.36) | RAB9ANPC1ALDH1A1HTTMEN1 |
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 |