Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 6/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | PPID | Q08752 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | THRB | P10828 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL5635986 | 1.00 | ALDH1A1 (0.59) | ALDH1A1CYP3A4CYP2C19CYP1A2L3MBTL1 | |
| SCHEMBL319873 | 0.77 | PPID (0.54) | ALDH1A1L3MBTL1TDP1MAPK1PPID | |
| SCHEMBL112999 | 0.76 | ALDH1A1 (0.68) | ALDH1A1L3MBTL1MAPK1MAPTPPID | |
| SCHEMBL1332625 | 0.76 | ALDH1A1 (0.68) | ALDH1A1L3MBTL1MAPK1MAPTPPID | |
| SCHEMBL1873977 | 0.76 | ALDH1A1 (0.68) | ALDH1A1L3MBTL1MAPK1MAPTPPID | |
| Benzene SCHEMBL28160801 | 0.76 | ALDH1A1 (0.68) | ALDH1A1L3MBTL1MAPK1MAPTPPID | |
| Malonic Acid Diethyl Ester SCHEMBL5026002 | 0.76 | ALDH1A1 (0.51) | ALDH1A1L3MBTL1TDP1MAPK1PPID | |
| SCHEMBL28280410 | 0.75 | PPID (0.53) | ALDH1A1L3MBTL1TDP1HPGDMAPK1 | |
| SCHEMBL1557559 | 0.75 | ALDH1A1 (0.61) | ALDH1A1L3MBTL1TDP1MAPK1PPID | |
| Water SCHEMBL27679105 | 0.74 | ALDH1A1 (0.66) | ALDH1A1L3MBTL1MAPK1MAPTPPID |
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-7217714-B1 | CCR5 modulators | AGOURON PHARMACEUTICALS, INC. (US) | 2007-05-15 | — | — | US | disclosed |