Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRA | P10827 | 1/20 | 0.45 |
| ▸ | THRB | P10828 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | NR3C2 | P08235 | 2/20 | 0.36 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.35 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.35 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.35 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9074815 | 0.82 | NPSR1 (0.49) | THRATHRBLMNANPSR1 | |
| SCHEMBL4423947 | 0.81 | MTNR1A (0.53) | THRATHRBKMT2ANPC1LMNA | |
| SCHEMBL28769712 | 0.81 | HSD17B10 (0.41) | MTNR1AMTNR1BNPSR1 | |
| SCHEMBL29671031 | 0.81 | HSD17B10 (0.41) | MTNR1AMTNR1BNPSR1 | |
| SCHEMBL14614108 | 0.77 | CYP4F2 (0.44) | THRATHRBLMNATSHRCYP4F2 | |
| SCHEMBL8961909 | 0.74 | MAPT (0.45) | THRBLMNATSHR | |
| SCHEMBL2441467 | 0.72 | NOTUM (0.48) | KMT2ANPC1HTTRAB9ANR3C2 | |
| SCHEMBL9308692 | 0.71 | TAAR1 (0.47) | NPC1TSHRRAB9A | |
| SCHEMBL14613770 | 0.69 | LPAR1 (0.38) | THRATHRBKMT2ALMNASMN1; SMN2 | |
| SCHEMBL3155515 | 0.69 | CA12 (0.34) | KMT2ALMNATSHRSMN1; SMN2NPSR1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114394980-B | Preparation method of spiro spiroketal compound | 广东省科学院动物研究所 | 2022-12-13 | — | — | CN | disclosed |
| 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 |