Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.50 |
| ▸ | ZDHHC7 | Q9NXF8 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | GRIK1 | P39086 | 2/20 | 0.44 |
| ▸ | GRIK2 | Q13002 | 2/20 | 0.44 |
| ▸ | SMPD1 | P17405 | 3/20 | 0.44 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.44 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | LCK | P06239 | 1/20 | 0.42 |
| ▸ | PPARD | Q03181 | 1/20 | 0.42 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.42 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.42 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.42 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.42 |
| ▸ | FAAH | O00519 | 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 | |
|---|---|---|---|---|
| SCHEMBL28664768 | 1.00 | CA2 (0.50) | CA2ZDHHC7CA1GRIK1GRIK2 | |
| SCHEMBL28381502 | 1.00 | CA2 (0.50) | CA2ZDHHC7CA1GRIK1GRIK2 | |
| SCHEMBL22880855 | 1.00 | CA2 (0.50) | CA2ZDHHC7CA1GRIK1GRIK2 | |
| SCHEMBL19262293 | 1.00 | CA2 (0.50) | CA2ZDHHC7CA1GRIK1GRIK2 | |
| SCHEMBL18597120 | 1.00 | CA2 (0.50) | CA2ZDHHC7CA1GRIK1GRIK2 | |
| SCHEMBL18597124 | 1.00 | CA2 (0.50) | CA2ZDHHC7CA1GRIK1GRIK2 | |
| SCHEMBL28380817 | 1.00 | CA2 (0.50) | CA2ZDHHC7CA1GRIK1GRIK2 | |
| SCHEMBL21259199 | 0.98 | CA2 (0.53) | CA2ZDHHC7CA1GRIK1GRIK2 | |
| SCHEMBL22035852 | 0.98 | CA2 (0.53) | CA2ZDHHC7CA1GRIK1GRIK2 | |
| SCHEMBL31235985 | 0.98 | CA2 (0.53) | CA2ZDHHC7CA1GRIK1GRIK2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1167710-C | Pyrrolidincarbonylamino cyclic disulfides | - | 2004-09-22 | — | — | CN | claimed |
| CN-1347419-A | Pyrrolidincarbonylamino cyclic disulfides | HOFFMANN LA ROCHE (CH) | 2002-05-01 | — | — | CN | claimed |
| CN-1167710-C | Pyrrolidincarbonylamino cyclic disulfides | - | 2004-09-22 | — | — | CN | disclosed |
| CN-1347419-A | Pyrrolidincarbonylamino cyclic disulfides | HOFFMANN LA ROCHE (CH) | 2002-05-01 | — | — | CN | disclosed |
| EP-1171452-A2 | PYRROLIDINCARBOLYLAMINO CYCLIC DISULFIDES AS VCAM-VLA4 ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2002-01-16 | — | — | EP | disclosed |
| WO-2000063234-A2 | PYRROLIDINCARBONYLAMINO CYCLIC DISULFIDES AS VCAM-VLA4 ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2000-10-26 | — | — | WO | disclosed |