Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR4A2 | P43354 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | HTT | P42858 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | MAOB | P27338 | 4/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.39 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.39 |
| ▸ | FFAR1 | O14842 | 6/20 | 0.39 |
| ▸ | PPARD | Q03181 | 1/20 | 0.39 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.39 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1503217 | 0.87 | ALDH1A1 (0.43) | NR4A2ALDH1A1HTTNPC1RAB9A | |
| SCHEMBL1503263 | 0.86 | MMP1 (0.44) | NR4A2ALDH1A1HTTNPC1RAB9A | |
| SCHEMBL28791542 | 0.85 | AR (0.42) | NR4A2HTTMAOBKDM4CMAOA | |
| SCHEMBL15746730 | 0.83 | PPARG (0.43) | NR4A2NPC1MEN1KMT2AMAOB | |
| SCHEMBL15746710 | 0.83 | NR4A2 (0.45) | NR4A2ALDH1A1NPC1RAB9AMAOB | |
| SCHEMBL22719905 | 0.81 | GABRA5 (0.43) | ALDH1A1NPC1RAB9AMEN1KMT2A | |
| SCHEMBL15746711 | 0.80 | PTGER1 (0.43) | MAOBKDM4C | |
| SCHEMBL27833082 | 0.77 | KDM4E (0.48) | ALDH1A1KMT2ALMNA | |
| SCHEMBL22283896 | 0.76 | EGLN1 (0.47) | ALDH1A1HTTNPC1RAB9AMAOB | |
| SCHEMBL15746681 | 0.75 | L3MBTL1 (0.42) | ALDH1A1HTTNPC1RAB9AMAPT |
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 |
|---|---|---|---|---|---|---|---|
| CN-102112447-A | HIV integrase inhibitors from pyridoxine | AMBRILIA BIOPHARMA INC | 2011-06-29 | — | — | CN | claimed |
| CN-102112447-A | HIV integrase inhibitors from pyridoxine | AMBRILIA BIOPHARMA INC | 2011-06-29 | — | — | CN | disclosed |