Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | AXL | P30530 | 1/20 | 0.43 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 4/20 | 0.40 |
| ▸ | AHR | P35869 | 1/20 | 0.40 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.38 |
| ▸ | TNF | P01375 | 1/20 | 0.38 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 3/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.36 |
| ▸ | RELA | Q04206 | 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 | |
|---|---|---|---|---|
| Quinoline SCHEMBL28858958 | 0.93 | ALDH1A1 (0.46) | ALDH1A1AXLNUDT1NPC1AHR | |
| Quinoline SCHEMBL27846294 | 0.81 | ALDH1A1 (0.53) | ALDH1A1AXLNUDT1NPC1AHR | |
| Quinoline SCHEMBL28065888 | 0.81 | ALDH1A1 (0.53) | ALDH1A1AXLNUDT1NPC1AHR | |
| Quinoline SCHEMBL27753517 | 0.81 | AHR (0.66) | ALDH1A1AXLNUDT1NPC1AHR | |
| SCHEMBL18867946 | 0.81 | AHR (0.56) | AHRTNFRIPK1CA12CA9 | |
| SCHEMBL446638 | 0.81 | AHR (0.56) | AHRTNFRIPK1CA12CA9 | |
| Quinoline SCHEMBL27752345 | 0.79 | ALDH1A1 (0.50) | ALDH1A1AXLNUDT1NPC1AHR | |
| Quinoline SCHEMBL27719790 | 0.79 | ALDH1A1 (0.50) | ALDH1A1AXLNUDT1NPC1AHR | |
| Quinoline SCHEMBL28040754 | 0.78 | ALDH1A1 (0.49) | ALDH1A1AXLNUDT1NPC1AHR | |
| Quinoline SCHEMBL27950148 | 0.78 | ALDH1A1 (0.49) | ALDH1A1AXLNUDT1AHRNR4A2 |
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-108495855-A | Condesned thiazole and pyrimidine derivatives as MNK inhibitor | 生命弧度公司 | 2018-09-04 | — | — | CN | disclosed |
| CN-101309904-A | 1- (1H-indol-1-yl) -3- (methylamino) -1-phenylpropan-2-ol derivatives and related compounds as monoamine reuptake modulators for the treatment of vasomotor symptoms (VMS) | WYETH CORP (US) | 2008-11-19 | — | — | CN | disclosed |