Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR4A1 | P22736 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | P4HB | P07237 | 1/20 | 0.33 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.33 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.33 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.33 |
| ▸ | SAE1 | Q9UBE0 | 1/20 | 0.33 |
| ▸ | UBA2 | Q9UBT2 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.33 |
| ▸ | GSK3A | P49840 | 1/20 | 0.33 |
| ▸ | GSK3B | P49841 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2531404 | 0.89 | NPC1 (0.42) | NPC1MAPTKDM4EALDH1A1MEN1 | |
| SCHEMBL12219890 | 0.85 | KMO (0.43) | NR4A1MAPTKDM4EALDH1A1MEN1 | |
| SCHEMBL2531578 | 0.82 | BCL9 (0.37) | LMNACYP2C9 | |
| SCHEMBL2530126 | 0.82 | ALDH1A1 (0.40) | NR4A1MAPTKDM4EALDH1A1MEN1 | |
| SCHEMBL2533556 | 0.81 | ALDH1A1 (0.41) | NPC1MAPTKDM4EALDH1A1MEN1 | |
| SCHEMBL2527714 | 0.80 | SRD5A1 (0.41) | NR4A1MAPTKDM4EALDH1A1MEN1 | |
| SCHEMBL2532170 | 0.80 | F11 (0.38) | NR4A1MAPTKDM4EALDH1A1MEN1 | |
| SCHEMBL2530850 | 0.80 | PARP1 (0.41) | NR4A1MAPTKDM4EMEN1KMT2A | |
| SCHEMBL12219946 | 0.80 | NR4A2 (0.34) | NR4A1ALDH1A1KMT2AF10F11 | |
| SCHEMBL2532950 | 0.80 | F11 (0.33) | NR4A1NPC1MAPTALDH1A1MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011128251-A1 | NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2011-10-20 | — | — | WO | disclosed |