Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | MTNR1A | P48039 | 5/20 | 0.41 |
| ▸ | MTNR1B | P49286 | 4/20 | 0.41 |
| ▸ | BRD4 | O60885 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | GLS | O94925 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CAPN1 | P07384 | 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 | |
|---|---|---|---|---|
| SCHEMBL29671031 | 1.00 | HSD17B10 (0.41) | HSD17B10MTNR1AMTNR1BBRD4ADRA1A | |
| SCHEMBL28769711 | 0.81 | THRA (0.45) | MTNR1AMTNR1BNPSR1 | |
| SCHEMBL14255243 | 0.70 | MEN1 (0.47) | MTNR1AMTNR1BPOLBALDH1A1 | |
| SCHEMBL7332981 | 0.70 | HSD17B10 (0.63) | HSD17B10MTNR1AMTNR1BBRD4ADRA1A | |
| SCHEMBL873388 | 0.70 | F2RL1 (0.62) | POLBALDH1A1 | |
| SCHEMBL11077966 | 0.68 | MTNR1A (0.62) | HSD17B10MTNR1AMTNR1BBRD4ADRA1A | |
| SCHEMBL30436820 | 0.68 | HSD17B10 (0.71) | HSD17B10MTNR1AMTNR1BADRA1ATAAR1 | |
| SCHEMBL491188 | 0.68 | HSD17B10 (0.71) | HSD17B10MTNR1AMTNR1BADRA1ATAAR1 | |
| Hydrochloric Acid SCHEMBL27699708 | 0.68 | LTA4H (0.59) | ALDH1A1 | |
| SCHEMBL4423947 | 0.67 | MTNR1A (0.53) | MTNR1AMTNR1BTAAR1 |
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-114539281-B | Spiro spiroketal compound and application thereof in preparation of anti-plasmodium drugs | 广东省科学院动物研究所 | 2022-09-09 | — | — | CN | disclosed |
| CN-114539281-A | Spiro spiroketal compound and application thereof in preparation of anti-plasmodium drugs | 广东省科学院动物研究所 | 2022-05-27 | — | — | CN | disclosed |
| CN-114394980-A | Preparation method of spiro spiroketal compound | 广东省科学院动物研究所 | 2022-04-26 | — | — | CN | disclosed |