Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.60 |
| ▸ | NPC1 | O15118 | 3/20 | 0.59 |
| ▸ | RAB9A | P51151 | 3/20 | 0.59 |
| ▸ | PKM | P14618 | 1/20 | 0.59 |
| ▸ | MAPT | P10636 | 5/20 | 0.58 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.56 |
| ▸ | MEN1 | O00255 | 2/20 | 0.56 |
| ▸ | CA1 | P00915 | 1/20 | 0.55 |
| ▸ | CA2 | P00918 | 1/20 | 0.55 |
| ▸ | CA9 | Q16790 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 2/20 | 0.54 |
| ▸ | GAA | P10253 | 2/20 | 0.54 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.54 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL17560868 | 0.89 | NPC1 (0.67) | ALDH1A1NPC1RAB9APKMMAPT | |
| SCHEMBL19449718 | 0.89 | NPC1 (0.67) | ALDH1A1NPC1RAB9APKMMAPT | |
| SCHEMBL15694760 | 0.85 | NPC1 (0.62) | ALDH1A1NPC1RAB9APKMMAPT | |
| SCHEMBL19441388 | 0.83 | NPC1 (0.60) | ALDH1A1NPC1RAB9APKMMAPT | |
| SCHEMBL4111704 | 0.82 | CYP1A2 (0.68) | ALDH1A1NPC1RAB9APKMMAPT | |
| SCHEMBL4111701 | 0.82 | CYP1A2 (0.68) | ALDH1A1NPC1RAB9APKMMAPT | |
| SCHEMBL13569105 | 0.82 | ALDH1A1 (0.74) | ALDH1A1NPC1RAB9APKMMAPT | |
| SCHEMBL17560805 | 0.81 | NPC1 (0.65) | ALDH1A1NPC1RAB9APKMMAPT | |
| SCHEMBL7847546 | 0.81 | MTNR1B (0.54) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL28642850 | 0.81 | MAPT (0.63) | ALDH1A1NPC1RAB9APKMMAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-9783499-B2 | Quinoline derivatives and their applications | SHENYANG PHARMACEUTICAL UNIVERSITY (CN) | 2017-10-10 | — | — | US | disclosed |