Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.48 |
| ▸ | CES2 | O00748 | 1/20 | 0.48 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.48 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 1/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | IDO1 | P14902 | 3/20 | 0.41 |
| ▸ | NOS2 | P35228 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28085046 | 0.81 | CES1 (0.55) | CES1CES2AKR1B1LOXL2SMN1; SMN2 | |
| SCHEMBL8778515 | 0.78 | CES2 (0.46) | CES1CES2AKR1B1LOXL2SMN1; SMN2 | |
| SCHEMBL11795977 | 0.76 | CES2 (0.44) | CES1CES2AKR1B1LOXL2SMN1; SMN2 | |
| SCHEMBL8993215 | 0.76 | CES1 (0.55) | CES1CES2AKR1B1LOXL2SMN1; SMN2 | |
| SCHEMBL5184996 | 0.76 | CES1 (0.55) | CES1CES2AKR1B1LOXL2SMN1; SMN2 | |
| Phenylacetic Acid SCHEMBL28668840 | 0.73 | AKR1B1 (0.81) | CES1CES2AKR1B1HIF1AKMT2A | |
| SCHEMBL1545179 | 0.73 | CES1 (0.58) | CES1CES2AKR1B1LOXL2HIF1A | |
| SCHEMBL28045886 | 0.73 | CES1 (0.46) | CES1CES2AKR1B1LOXL2SMN1; SMN2 | |
| SCHEMBL9520947 | 0.73 | ALDH1A1 (0.46) | CES1CES2AKR1B1TAAR1HIF1A | |
| SCHEMBL9701924 | 0.73 | LOXL2 (0.43) | CES1CES2AKR1B1LOXL2SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0722436-A4 | MERCAPTOSULFIDE METALLOPROTEINASE INHIBITORS | UNIV FLORIDA STATE (US) | 1996-11-20 | — | — | EP | disclosed |
| EP-0722436-A1 | MERCAPTOSULFIDE METALLOPROTEINASE INHIBITORS | FLORIDA STATE UNIVERSITY (US) | 1996-07-24 | — | — | EP | disclosed |
| WO-1995009833-A1 | MERCAPTOSULFIDE METALLOPROTEINASE INHIBITORS | FLORIDA STATE UNIVERSITY (US) | 1995-04-13 | — | — | WO | disclosed |