Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 2/20 | 0.42 |
| ▸ | IDO1 | P14902 | 1/20 | 0.40 |
| ▸ | CTSS | P25774 | 3/20 | 0.40 |
| ▸ | CTSK | P43235 | 2/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.39 |
| ▸ | CTSC | P53634 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CTSL | P07711 | 3/20 | 0.38 |
| ▸ | CTSB | P07858 | 1/20 | 0.38 |
| ▸ | ALPI | P09923 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.37 |
| ▸ | XIAP | P98170 | 1/20 | 0.37 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8849258 | 1.00 | TRPA1 (0.46) | TRPA1MAOBIDO1CTSSCTSK | |
| SCHEMBL22868014 | 0.88 | MAOB (0.47) | MAOBCTSSCTSKESR1ESR2 | |
| SCHEMBL27536124 | 0.81 | TRPA1 (0.43) | TRPA1MAOBIDO1CTSSCTSK | |
| SCHEMBL5161982 | 0.81 | TRPA1 (0.58) | TRPA1IDO1CYP1A2EPHX1TSHR | |
| SCHEMBL13721525 | 0.81 | TRPA1 (0.58) | TRPA1IDO1CYP1A2EPHX1TSHR | |
| SCHEMBL4849811 | 0.81 | MAOB (0.42) | MAOBCTSSCTSKESR1ESR2 | |
| SCHEMBL27511910 | 0.78 | CTSS (0.41) | TRPA1MAOBCTSSCTSKESR1 | |
| SCHEMBL6746625 | 0.76 | TRPA1 (0.44) | TRPA1MAOBCTSSCTSKESR1 | |
| Boric Acid SCHEMBL28247762 | 0.75 | TRPA1 (0.52) | TRPA1IDO1CYP1A2EPHX1TSHR | |
| SCHEMBL7906029 | 0.74 | TRPA1 (0.50) | TRPA1IDO1CYP1A2EPHX1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| JP-9077758-A | — | — | None | — | — | JP | disclosed |
| JP-H0977758-A | PRODUCTION OF TETRAHYDROFURAN DERIVATIVE | KURARAY CO LTD | 1997-03-25 | — | — | JP | disclosed |