Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IMPDH2 | P12268 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | ERN1 | O75460 | 3/20 | 0.31 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL27257037 | 0.84 | IMPDH2 (0.30) | IMPDH2ERN1 | |
| SCHEMBL28165391 | 0.81 | ERN1 (0.33) | ALDH1A1ERN1 | |
| SCHEMBL18241122 | 0.81 | ERN1 (0.35) | ALDH1A1ERN1AKR1B1 | |
| SCHEMBL6568843 | 0.79 | HSD17B10 (0.32) | ALDH1A1ERN1AKR1B1 | |
| SCHEMBL1810542 | 0.78 | MEN1 (0.36) | ALDH1A1 | |
| SCHEMBL6060779 | 0.78 | MEN1 (0.36) | ALDH1A1 | |
| SCHEMBL27893581 | 0.76 | MEN1 (0.31) | IMPDH2ALDH1A1ERN1 | |
| SCHEMBL11017584 | 0.73 | HSD17B10 (0.33) | — | |
| SCHEMBL31335743 | 0.73 | ERN1 (0.43) | ALDH1A1ERN1 | |
| SCHEMBL28056767 | 0.72 | ERN1 (0.36) | ALDH1A1ERN1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1939903-A | Mandelic acid derivatives and their use as throbin inhibitors | ASTRAZENECA AB (SE) | 2007-04-04 | — | — | CN | disclosed |
| CN-1939902-A | Mandelic acid derivatives and their use as throbin inhibitors | ASTRAZENECA AB (SE) | 2007-04-04 | — | — | CN | disclosed |
| CN-1291975-C | Novel mandelic acid derivatives and their use as thrombin inhibitors | ASTRAZENECA AB (SE) | 2006-12-27 | — | — | CN | disclosed |
| CN-1656066-A | combination drug | ASTRAZENECA AB (SE) | 2005-08-17 | — | — | CN | disclosed |
| CN-1487919-A | Novel mandelic acid derivatives and their use as thrombin inhibitors | — | 2004-04-07 | — | — | CN | disclosed |