Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 7/20 | 0.54 |
| ▸ | MLYCD | O95822 | 10/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL15215857 | 0.93 | ALOX5 (0.50) | ALOX5MLYCDRAB9A | |
| SCHEMBL15215299 | 0.83 | ALOX5 (0.56) | ALOX5MLYCD | |
| SCHEMBL2991946 | 0.77 | MLYCD (0.71) | ALOX5MLYCD | |
| SCHEMBL2984808 | 0.76 | ALOX5 (0.48) | ALOX5MLYCD | |
| SCHEMBL2989755 | 0.76 | MLYCD (0.51) | ALOX5MLYCD | |
| SCHEMBL5005112 | 0.76 | ALOX5 (0.48) | ALOX5MLYCD | |
| SCHEMBL2987971 | 0.75 | MLYCD (0.65) | ALOX5MLYCD | |
| SCHEMBL4075973 | 0.74 | ALOX5 (0.71) | ALOX5 | |
| SCHEMBL5960294 | 0.74 | ALOX5 (0.46) | ALOX5MLYCD | |
| SCHEMBL4075997 | 0.73 | ALOX5 (0.57) | ALOX5RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| US-20130226549-A1 | STRUCTURE-BASED FRAGMENT HOPPING FOR LEAD OPTIMIZATION AND IMPROVEMENT IN SYNTHETIC ACCESSIBILITY | TSENG, YUFENG J. (TW) | 2013-08-29 | — | — | US | disclosed |
| US-20130226549-A1 | STRUCTURE-BASED FRAGMENT HOPPING FOR LEAD OPTIMIZATION AND IMPROVEMENT IN SYNTHETIC ACCESSIBILITY | TSENG, YUFENG J. (TW) | 2013-08-29 | — | — | US | disclosed |