Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.71 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.62 |
| ▸ | NPC1 | O15118 | 3/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.46 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | CASP1 | P29466 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | NQO2 | P16083 | 1/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
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 SCHEMBL28166319 | 0.86 | ALDH1A1 (0.89) | ALDH1A1CYP1A2NPC1RAB9APOLB | |
| Quinoline SCHEMBL7044581 | 0.83 | ALDH1A1 (0.74) | ALDH1A1CYP1A2NPC1RAB9APOLB | |
| SCHEMBL130884 | 0.83 | ALDH1A1 (1.00) | ALDH1A1CYP1A2NPC1RAB9APOLB | |
| Quinoline SCHEMBL10945623 | 0.83 | ALDH1A1 (0.74) | ALDH1A1CYP1A2NPC1RAB9APOLB | |
| Quinoline SCHEMBL27743776 | 0.82 | ALDH1A1 (0.71) | ALDH1A1CYP1A2NPC1RAB9APOLB | |
| Quinoline SCHEMBL27267356 | 0.82 | ALDH1A1 (0.71) | ALDH1A1CYP1A2NPC1RAB9APOLB | |
| Ammonia Solution, Strong SCHEMBL27491586 | 0.82 | ALDH1A1 (0.96) | ALDH1A1CYP1A2NPC1RAB9APOLB | |
| Quinoline SCHEMBL10951645 | 0.81 | ALDH1A1 (0.63) | ALDH1A1CYP1A2NPC1RAB9APOLB | |
| SCHEMBL31206253 | 0.80 | ALDH1A1 (0.84) | ALDH1A1CYP1A2NPC1RAB9APOLB | |
| SCHEMBL23367912 | 0.80 | ALDH1A1 (0.84) | ALDH1A1CYP1A2NPC1RAB9APOLB |
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 |
|---|---|---|---|---|---|---|---|
| EP-3252052-B1 | PHENANTHROLINE DERIVATIVE, ELECTRONIC DEVICE CONTAINING SAME, LIGHT EMITTING ELEMENT, AND PHOTOELECTRIC CONVERSION ELEMENT | TORAY INDUSTRIES (JP) | 2021-05-19 | — | — | EP | disclosed |