Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 1/20 | 0.58 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.58 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.55 |
| ▸ | CYP11B2 | P19099 | 9/20 | 0.50 |
| ▸ | CYP11B1 | P15538 | 8/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 3/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
| ▸ | CYP17A1 | P05093 | 3/20 | 0.47 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.47 |
| ▸ | CASP3 | P42574 | 1/20 | 0.46 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.46 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.43 |
| ▸ | FDFT1 | P37268 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL5980239 | 0.83 | HSD17B1 (0.61) | HSD17B1HSD17B2GSTP1CYP11B2CYP11B1 | |
| SCHEMBL4153688 | 0.81 | CA1 (0.52) | NPC1RAB9ACASP3SENP7 | |
| SCHEMBL12051687 | 0.81 | HSD17B1 (0.83) | HSD17B1HSD17B2GSTP1CYP11B2CYP11B1 | |
| SCHEMBL11723032 | 0.81 | HSD17B1 (0.83) | HSD17B1HSD17B2GSTP1CYP11B2CYP11B1 | |
| SCHEMBL23312096 | 0.79 | ESR1 (0.45) | HSD17B1HSD17B2GSTP1CYP1A2CYP3A4 | |
| SCHEMBL22106285 | 0.77 | HSD17B1 (0.76) | HSD17B1HSD17B2GSTP1CYP11B2CYP11B1 | |
| SCHEMBL14041533 | 0.77 | HSD17B1 (0.76) | HSD17B1HSD17B2GSTP1CYP11B2CYP11B1 | |
| SCHEMBL3020390 | 0.77 | HSD17B1 (0.76) | HSD17B1HSD17B2GSTP1CYP11B2CYP11B1 | |
| SCHEMBL1041430 | 0.77 | CYP1A2 (0.61) | HSD17B1HSD17B2GSTP1CYP11B2CYP11B1 | |
| SCHEMBL28112436 | 0.77 | CYP1A2 (0.46) | GSTP1CYP11B2CYP11B1CYP1A2CYP3A4 |
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-113429259-B | Fluorine-containing compound and application thereof | 中国科学院上海有机化学研究所 | 2023-03-24 | — | — | CN | disclosed |
| CN-113429259-A | Fluorine-containing compound and application thereof | 中国科学院上海有机化学研究所 | 2021-09-24 | — | — | CN | disclosed |