Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 9/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | MLYCD | O95822 | 2/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | AR | P10275 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL15215291 | 0.93 | ALOX5 (0.54) | ALOX5RAB9AMLYCD | |
| SCHEMBL15215299 | 0.76 | ALOX5 (0.56) | ALOX5MLYCDCA12CA9AR | |
| SCHEMBL4075973 | 0.74 | ALOX5 (0.71) | ALOX5 | |
| SCHEMBL4075997 | 0.73 | ALOX5 (0.57) | ALOX5RAB9ACA12CA9HPGD | |
| SCHEMBL2990446 | 0.70 | MLYCD (0.59) | ALOX5MLYCDCA12CA9LMNA | |
| SCHEMBL2987497 | 0.70 | MLYCD (0.57) | ALOX5MLYCDCA12CA9HPGD | |
| SCHEMBL2985044 | 0.70 | MLYCD (0.57) | ALOX5MLYCDCA12CA9HPGD | |
| SCHEMBL2979837 | 0.70 | MLYCD (0.57) | ALOX5MLYCDCA12CA9HPGD | |
| SCHEMBL4075975 | 0.70 | ALOX5 (0.53) | ALOX5CA12CA9ARHPGD | |
| SCHEMBL2991946 | 0.70 | MLYCD (0.71) | ALOX5MLYCDCA12CA9 |
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 1 patent. 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 |