Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | CES1 | P23141 | 1/20 | 0.43 |
| ▸ | CPA1 | P15085 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | ALPI | P09923 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | XIAP | P98170 | 1/20 | 0.39 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.39 |
| ▸ | KIF11 | P52732 | 2/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6633524 | 1.00 | TRPA1 (0.43) | TRPA1SMN1; SMN2HIF1ACES1CPA1 | |
| SCHEMBL4398300 | 0.81 | ALPI (0.55) | SMN1; SMN2HIF1AALPIPKMPTGS1 | |
| SCHEMBL4398295 | 0.81 | ALPI (0.55) | SMN1; SMN2HIF1AALPIPKMPTGS1 | |
| Hydrochloric Acid SCHEMBL2344664 | 0.79 | ALPI (0.53) | SMN1; SMN2HIF1AALPIPKMPTGS1 | |
| Hydrochloric Acid SCHEMBL2344672 | 0.79 | ALPI (0.53) | SMN1; SMN2HIF1AALPIPKMPTGS1 | |
| Bromide SCHEMBL2192294 | 0.79 | ALPI (0.53) | SMN1; SMN2HIF1AALPIPKMPTGS1 | |
| SCHEMBL346994 | 0.77 | LMNA (0.43) | CPA1CYP2C9CYP2C19ALDH1A1CYP3A4 | |
| Bromide SCHEMBL1200370 | 0.76 | LMNA (0.42) | CPA1CYP2C9CYP2C19ALDH1A1CYP3A4 | |
| SCHEMBL4406736 | 0.74 | CTSB (0.38) | TRPA1SMN1; SMN2HIF1ACES1CPA1 | |
| SCHEMBL4073030 | 0.74 | CTSB (0.38) | TRPA1SMN1; SMN2HIF1ACES1CPA1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1397340-A2 | CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2004-03-17 | — | — | EP | disclosed |
| WO-2002098850-A2 | CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2002-12-12 | — | — | WO | disclosed |