Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR2 | P25025 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | GSK3B | P49841 | 1/20 | 0.39 |
| ▸ | BACE1 | P56817 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | ELOVL1 | Q9BW60 | 1/20 | 0.37 |
| ▸ | GRM5 | P41594 | 3/20 | 0.37 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.36 |
| ▸ | CTSL | P07711 | 1/20 | 0.36 |
| ▸ | CTSB | P07858 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | APP | P05067 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL15177157 | 0.93 | L3MBTL1 (0.43) | CXCR2ALDH1A1L3MBTL1GSK3BBACE1 | |
| SCHEMBL15177139 | 0.84 | KDM4E (0.40) | ALDH1A1LMNANPC1RAB9ASMN1; SMN2 | |
| SCHEMBL510483 | 0.82 | ALDH1A1 (0.55) | CXCR2ALDH1A1L3MBTL1GSK3BBACE1 | |
| SCHEMBL16093377 | 0.80 | CXCR2 (0.45) | CXCR2ALDH1A1LMNAELOVL1GRM5 | |
| SCHEMBL15177143 | 0.80 | AKT1 (0.48) | CXCR2L3MBTL1GSK3BBACE1NPC1 | |
| SCHEMBL1106865 | 0.80 | TLR4 (0.56) | CXCR2MAOB | |
| SCHEMBL510296 | 0.80 | TLR4 (0.56) | CXCR2MAOB | |
| SCHEMBL16093390 | 0.78 | GRM5 (0.38) | ALDH1A1L3MBTL1GSK3BBACE1LMNA | |
| SCHEMBL510015 | 0.77 | ALDH1A1 (0.65) | CXCR2ALDH1A1L3MBTL1GSK3BBACE1 | |
| SCHEMBL28791339 | 0.76 | CXCR2 (0.63) | CXCR2ALDH1A1L3MBTL1GRM5GABRA5 |
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-8841327-B2 | Heterocycles substituted pyridine derivatives and antifungal agent containing thereof | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2014-09-23 | — | — | US | disclosed |