Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | HPGD | P15428 | 4/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MTOR | P42345 | 2/20 | 0.41 |
| ▸ | GMNN | O75496 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | THPO | P40225 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28852256 | 0.77 | ALDH1A1 (0.42) | ALDH1A1HPGDHIF1AHSD17B10CYP1A2 | |
| SCHEMBL28184195 | 0.77 | ALDH1A1 (0.41) | ALDH1A1HPGDHIF1AHSD17B10CYP1A2 | |
| SCHEMBL29447040 | 0.73 | BACE1 (0.50) | ALDH1A1BACE1PLAUPIK3CG | |
| SCHEMBL22416822 | 0.73 | MEN1 (0.44) | ALDH1A1HPGDHIF1AHSD17B10CYP1A2 | |
| SCHEMBL198060 | 0.73 | BACE1 (0.50) | ALDH1A1BACE1PLAUPIK3CG | |
| SCHEMBL13904021 | 0.72 | TDP1 (0.44) | ALDH1A1HPGDHIF1AHSD17B10CYP1A2 | |
| SCHEMBL8424361 | 0.71 | HDAC1 (0.37) | ALDH1A1HPGDHIF1AHSD17B10CYP1A2 | |
| SCHEMBL18673663 | 0.71 | NPC1 (0.59) | ALDH1A1HPGDHIF1AHSD17B10TP53 | |
| SCHEMBL1133953 | 0.69 | NCK1 (0.64) | ALDH1A1HPGDCYP1A2MEN1LMNA | |
| SCHEMBL1598979 | 0.69 | BACE1 (0.39) | CYP1A2MTORNMT1BACE1PLAU |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108026067-A | 6- amino-quinolin -3- nitriles as COT conditioning agents | 吉利德科学公司 | 2018-05-11 | — | — | CN | disclosed |
| CN-107922390-A | COT modulators and methods of use thereof | 吉利德科学公司 | 2018-04-17 | — | — | CN | disclosed |
| WO-2009109477-A1 | 2-AMINOQUINOLINES | F. HOFFMANN-LA ROCHE AG (CH) | 2009-09-11 | — | — | WO | disclosed |