Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PYCR1 | P32322 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | ACHE | P22303 | 2/20 | 0.43 |
| ▸ | BAZ1A | Q9NRL2 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL21723951 | 0.82 | PYCR1 (0.48) | PYCR1TSHRALDH1A1NPC1ATM | |
| SCHEMBL21724485 | 0.80 | SMN1; SMN2 (0.47) | ALDH1A1LMNAMAPTSMN1; SMN2HTT | |
| SCHEMBL21724535 | 0.80 | PYCR1 (0.46) | PYCR1MAPTNPC1SIGMAR1 | |
| SCHEMBL21723933 | 0.80 | MEN1 (0.46) | ALDH1A1NPC1TDP1KDM4E | |
| SCHEMBL21723955 | 0.77 | MEP1A (0.44) | — | |
| SCHEMBL21723766 | 0.77 | ALDH1A1 (0.43) | CYP1A2CYP2D6CYP2C19ALDH1A1MAPT | |
| SCHEMBL21724346 | 0.76 | ALDH1A1 (0.47) | CYP2D6CYP2C19TSHRALDH1A1LMNA | |
| SCHEMBL1097545 | 0.74 | PYCR1 (0.66) | PYCR1CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL17064454 | 0.73 | CRHBP (0.70) | PYCR1CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL21724766 | 0.73 | TACR1 (0.38) | NPC1RAB9A |
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 |