Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.65 |
| ▸ | HTT | P42858 | 3/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.46 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.41 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | CASP7 | P55210 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
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 SCHEMBL27789588 | 0.86 | ALDH1A1 (0.74) | ALDH1A1HTTALOX15PDGFRBPDGFRA | |
| Quinoline SCHEMBL27543949 | 0.86 | ALDH1A1 (0.81) | ALDH1A1HTTALOX15PDGFRBPDGFRA | |
| Quinoline SCHEMBL27554339 | 0.84 | ALDH1A1 (0.59) | ALDH1A1HTTALOX15PDGFRBPDGFRA | |
| Quinoline SCHEMBL28096623 | 0.84 | ALDH1A1 (0.77) | ALDH1A1HTTALOX15NPC1POLB | |
| Quinoline SCHEMBL27422586 | 0.83 | ALDH1A1 (0.85) | ALDH1A1HTTALOX15PDGFRBPDGFRA | |
| Quinoline SCHEMBL29354528 | 0.82 | ALDH1A1 (0.74) | ALDH1A1HTTALOX15NPC1POLB | |
| Quinoline SCHEMBL27766871 | 0.82 | ALDH1A1 (0.74) | ALDH1A1HTTALOX15NPC1POLB | |
| Quinoline SCHEMBL4721637 | 0.82 | ALDH1A1 (0.74) | ALDH1A1HTTALOX15NPC1POLB | |
| Quinoline SCHEMBL28096081 | 0.82 | ALDH1A1 (0.74) | ALDH1A1HTTALOX15NPC1POLB | |
| Quinoline SCHEMBL27449009 | 0.82 | ALDH1A1 (0.74) | ALDH1A1HTTPDGFRBPDGFRANPC1 |
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-105934246-B | Tetrahydroquinoline compositions as BET bromodomain inhibitors | 福马疗法公司 | 2019-10-22 | — | — | CN | claimed |
| CN-106083849-A | The quaternary condensed or five-membered ring pyrido phthalazone compounds as PARP inhibitor | 百济神州有限公司 | 2016-11-09 | — | — | CN | disclosed |
| CN-104169283-B | Fused quaternary or five-membered ring pyridophthalazinones as PARP inhibitors | BEIGENE, LTD. (KY) | 2016-05-18 | — | — | CN | disclosed |