Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSPB1 | P04792 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 2/20 | 0.48 |
| ▸ | CA2 | P00918 | 2/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | CES2 | O00748 | 1/20 | 0.48 |
| ▸ | CES1 | P23141 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.45 |
| ▸ | ACHE | P22303 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL9384682 | 0.84 | MEN1 (0.51) | HSPB1CA1CA2CA9CES2 | |
| SCHEMBL26555623 | 0.84 | CA1 (0.50) | HSPB1CA1CA2CA9CES2 | |
| SCHEMBL11582009 | 0.83 | HSPB1 (0.53) | HSPB1CA1CA2CA9CES2 | |
| SCHEMBL9722713 | 0.80 | ALDH1A1 (0.50) | HSPB1CA1CA2CES2CES1 | |
| SCHEMBL28320340 | 0.80 | MEN1 (0.48) | HSPB1CA1CA2CES2CES1 | |
| SCHEMBL9320810 | 0.79 | MEN1 (0.54) | HSPB1CA1CA2CA9CES2 | |
| SCHEMBL4778707 | 0.79 | KMT2A (0.67) | HSPB1CA1CA2CA9CES2 | |
| SCHEMBL31144660 | 0.79 | CA1 (0.53) | HSPB1CA1CA2CA9CES2 | |
| SCHEMBL6194967 | 0.79 | MEN1 (0.55) | HSPB1CA1CA2CA9CES2 | |
| SCHEMBL10855255 | 0.78 | ALDH1A1 (0.48) | HSPB1CES2CES1MEN1KMT2A |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118652199-A | Di-diazeniumdiolate nitric oxide donor, preparation and application | 浙江大学 | 2024-09-17 | — | — | CN | disclosed |
| EP-0191044-B1 | DERIVATIVES OF METHYLENE-BISPHOSPHONIC ACID, PROCESS FOR THEIR PREPARATION AND A PHARMACEUTICAL COMPOSITION | LEO PHARMACEUTICAL PRODUCTS LTD. A/S (LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB) (DK) | 1990-02-07 | — | — | EP | disclosed |
| US-4732998-A | Bisphosphonic acids and esters | LEO PHARMACEUTICAL PRODUCTS, LTD. (DK) | 1988-03-22 | — | — | US | disclosed |
| EP-0191044-A1 | DERIVATIVES OF METHYLENE-BISPHOSPHONIC ACID, PROCESS FOR THEIR PREPARATION AND A PHARMACEUTICAL COMPOSITION. | LEO PHARM PROD LTD (DK) | 1986-08-20 | — | — | EP | disclosed |
| WO-1986000902-A1 | DERIVATIVES OF METHYLENE-BISPHOSPHONIC ACID, PROCESS FOR THEIR PREPARATION AND A PHARMACEUTICAL COMPOSITION | LEO PHARMACEUTICAL PRODUCTS LTD. A/S (DK) | 1986-02-13 | — | — | WO | disclosed |