Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 4/20 | 0.49 |
| ▸ | LMNA | P02545 | 3/20 | 0.49 |
| ▸ | CA12 | O43570 | 2/20 | 0.49 |
| ▸ | CA1 | P00915 | 2/20 | 0.49 |
| ▸ | CA2 | P00918 | 2/20 | 0.49 |
| ▸ | CA7 | P43166 | 2/20 | 0.49 |
| ▸ | CA9 | Q16790 | 2/20 | 0.49 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 4/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL7978838 | 0.87 | ALDH1A1 (0.58) | ALDH1A1HSD17B10KDM4EMAPTLMNA | |
| SCHEMBL14358812 | 0.87 | ALDH1A1 (0.58) | ALDH1A1HSD17B10KDM4EPKMMAPT | |
| SCHEMBL10362606 | 0.87 | ALDH1A1 (0.58) | ALDH1A1HSD17B10KDM4EMAPTLMNA | |
| SCHEMBL8185682 | 0.86 | HSD17B10 (0.57) | ALDH1A1HSD17B10KDM4ELMNATSHR | |
| SCHEMBL7765079 | 0.85 | TSHR (0.58) | ALDH1A1HSD17B10KDM4EPKMMAPT | |
| SCHEMBL10738550 | 0.84 | MEN1 (0.62) | ALDH1A1HSD17B10MAPTLMNAMEN1 | |
| SCHEMBL23045006 | 0.83 | HSD17B10 (0.48) | ALDH1A1HSD17B10KDM4EMAPTLMNA | |
| SCHEMBL11833005 | 0.83 | KDM4E (0.53) | ALDH1A1HSD17B10KDM4EMAPTLMNA | |
| SCHEMBL18823988 | 0.83 | KDM4E (0.57) | ALDH1A1KDM4EMAPTLMNATSHR | |
| SCHEMBL9541238 | 0.83 | KDM4E (0.53) | ALDH1A1HSD17B10KDM4EPKMMAPT |
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-116925100-A | Substituted thiophenoquinolinone compound and preparation method and application thereof | 深圳信立泰药业股份有限公司 | 2023-10-24 | — | — | CN | disclosed |
| WO-2020246487-A1 | COMPOUNDS HAVING DISPIRO DIKETOPIPERAZINE STRUCTURE | 第一三共株式会社 | 2020-12-10 | — | — | WO | disclosed |