Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.81 |
| ▸ | MGAM | O43451 | 1/20 | 0.50 |
| ▸ | NCF1 | P14598 | 4/20 | 0.48 |
| ▸ | HPGD | P15428 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | GLA | P06280 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | ACHE | P22303 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.47 |
| ▸ | NOS2 | P35228 | 1/20 | 0.46 |
| ▸ | BACE1 | P56817 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | CCR1 | P32246 | 1/20 | 0.46 |
| ▸ | CCR8 | P51685 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Quinaldine SCHEMBL5428195 | 0.90 | CYP1A2 (1.00) | CYP1A2NCF1HPGDALDH1A1GLA | |
| Quinaldine SCHEMBL29405077 | 0.90 | CYP1A2 (1.00) | CYP1A2NCF1HPGDALDH1A1GLA | |
| Quinaldine SCHEMBL56360 | 0.90 | CYP1A2 (1.00) | CYP1A2NCF1HPGDALDH1A1GLA | |
| Quinaldine SCHEMBL9724469 | 0.87 | CYP1A2 (0.95) | CYP1A2NCF1HPGDALDH1A1GLA | |
| Quinaldine SCHEMBL10348815 | 0.87 | CYP1A2 (0.95) | CYP1A2NCF1HPGDALDH1A1GLA | |
| Quinaldine SCHEMBL10334551 | 0.87 | CYP1A2 (0.95) | CYP1A2NCF1HPGDALDH1A1GLA | |
| Quinaldine SCHEMBL4432999 | 0.87 | CYP1A2 (0.95) | CYP1A2NCF1HPGDALDH1A1GLA | |
| Quinaldine SCHEMBL22129966 | 0.87 | CYP1A2 (0.95) | CYP1A2NCF1HPGDALDH1A1GLA | |
| Quinaldine SCHEMBL20741442 | 0.87 | CYP1A2 (0.95) | CYP1A2NCF1HPGDALDH1A1GLA | |
| Quinaldine SCHEMBL10334550 | 0.87 | CYP1A2 (0.95) | CYP1A2NCF1HPGDALDH1A1GLA |
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 |