Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | MAOB | P27338 | 2/20 | 0.47 |
| ▸ | NOS3 | P29474 | 2/20 | 0.44 |
| ▸ | NOS1 | P29475 | 2/20 | 0.44 |
| ▸ | NOS2 | P35228 | 2/20 | 0.44 |
| ▸ | PPARA | Q07869 | 1/20 | 0.44 |
| ▸ | PPARD | Q03181 | 3/20 | 0.44 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.44 |
| ▸ | MDH1 | P40925 | 1/20 | 0.43 |
| ▸ | MDH2 | P40926 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL21991581 | 0.85 | ALDH1A1 (0.48) | ALDH1A1MAOBNOS3NOS1NOS2 | |
| SCHEMBL16379339 | 0.84 | PPARA (0.49) | ALDH1A1MAOBPPARAPPARDPSMB5 | |
| SCHEMBL22651641 | 0.82 | ALDH1A1 (0.51) | ALDH1A1 | |
| SCHEMBL17601685 | 0.82 | S1PR1 (0.53) | MAOBPPARA | |
| SCHEMBL16915059 | 0.82 | MAOB (0.44) | MAOBNOS3NOS1NOS2PPARA | |
| SCHEMBL17601686 | 0.82 | S1PR1 (0.53) | MAOBPPARA | |
| SCHEMBL21992729 | 0.82 | ALDH1A1 (0.45) | ALDH1A1MAOBNOS3NOS1NOS2 | |
| SCHEMBL7749771 | 0.80 | MAPT (0.51) | ALDH1A1MAOB | |
| SCHEMBL12384285 | 0.79 | MTNR1A (0.58) | LMNA | |
| SCHEMBL21991978 | 0.79 | MAOB (0.57) | MAOB |
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-8933018-B2 | Boron containing polybasic bacterial efflux pump inhibitors and therapeutic uses thereof | REMPEX PHARMACEUTICALS, INC. (US) | 2015-01-13 | — | — | US | disclosed |