Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 9/20 | 0.51 |
| ▸ | CFTR | P13569 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 4/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.39 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | CTSD | P07339 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | GLA | P06280 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29501303 | 0.88 | TUBB1 (0.44) | ALDH1A1TSHRSMN1; SMN2KDM4EPOLB | |
| SCHEMBL28596231 | 0.88 | TUBB1 (0.44) | ALDH1A1TSHRSMN1; SMN2KDM4EPOLB | |
| SCHEMBL28415491 | 0.79 | KDM4E (0.47) | ALDH1A1HSD17B10CFTRTSHRSMN1; SMN2 | |
| SCHEMBL28701486 | 0.78 | CTSD (0.47) | ALDH1A1HSD17B10CFTRTSHRSMN1; SMN2 | |
| SCHEMBL2367627 | 0.76 | ALDH1A1 (0.69) | ALDH1A1HSD17B10CFTRTSHRSMN1; SMN2 | |
| SCHEMBL27422765 | 0.75 | ALDH1A1 (0.67) | ALDH1A1HSD17B10CFTRTSHRSMN1; SMN2 | |
| SCHEMBL339501 | 0.74 | TUBB1 (0.45) | ALDH1A1TSHRSMN1; SMN2TDP1IDO1 | |
| SCHEMBL29501305 | 0.74 | L3MBTL1 (0.49) | ALDH1A1TSHRSMN1; SMN2KDM4EPOLB | |
| SCHEMBL1321669 | 0.74 | MAPT (0.51) | ALDH1A1HSD17B10TSHRSMN1; SMN2KDM4E | |
| SCHEMBL348929 | 0.74 | L3MBTL1 (0.49) | ALDH1A1TSHRSMN1; SMN2KDM4EPOLB |
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-113121427-B | Quinoline derivative and preparation method and application thereof | 广东工业大学 | 2022-04-01 | — | — | CN | disclosed |
| CN-113121427-A | Quinoline derivative and preparation method and application thereof | 广东工业大学 | 2021-07-16 | — | — | CN | disclosed |