Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.45 |
| ▸ | CES2 | O00748 | 2/20 | 0.43 |
| ▸ | CES1 | P23141 | 2/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.43 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.43 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.43 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.43 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.43 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.43 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 5/20 | 0.40 |
| ▸ | RAB9A | P51151 | 5/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | GRM5 | P41594 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9541842 | 0.93 | HCAR1 (0.44) | SLC6A3CES2CES1HDAC1HDAC6 | |
| SCHEMBL9541876 | 0.80 | RARA (0.40) | SLC6A3HDAC1HDAC6HDAC3HDAC4 | |
| SCHEMBL499248 | 0.79 | CYP1A2 (0.39) | SMN1; SMN2KDM4EALDH1A1EGFR | |
| SCHEMBL9543676 | 0.78 | MAPT (0.38) | HDAC1HDAC6NPC1RAB9AKDM4E | |
| SCHEMBL29781353 | 0.77 | CHRNA1 (0.49) | SLC6A3CES2CES1HDAC1HDAC6 | |
| SCHEMBL6419841 | 0.75 | SLC6A3 (0.53) | SLC6A3CES2CES1NPC1RAB9A | |
| SCHEMBL21051097 | 0.73 | POLB (0.55) | HDAC1HDAC6HDAC3HDAC7HDAC2 | |
| SCHEMBL6119612 | 0.72 | SRD5A2 (0.48) | SMN1; SMN2ALDH1A1 | |
| SCHEMBL7481751 | 0.72 | ALDH1A1 (0.55) | HDAC1HDAC6NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL4490079 | 0.72 | MPO (0.53) | NPC1RAB9AALDH1A1EGFR |
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-1993014063-A1 | FUNGICIDES | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1993-07-22 | — | — | WO | disclosed |