Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 8/20 | 0.68 |
| ▸ | HSD17B2 | P37059 | 7/20 | 0.68 |
| ▸ | RAB9A | P51151 | 5/20 | 0.66 |
| ▸ | NPC1 | O15118 | 4/20 | 0.66 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.60 |
| ▸ | MEN1 | O00255 | 4/20 | 0.60 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.58 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.55 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | PKM | P14618 | 1/20 | 0.52 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.52 |
| ▸ | SCD | O00767 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL30517 | 0.89 | RAB9A (0.82) | RAB9ANPC1KMT2AMEN1CYP3A4 | |
| SCHEMBL29870 | 0.85 | HSD17B1 (0.75) | HSD17B1HSD17B2RAB9ANPC1KMT2A | |
| SCHEMBL30323 | 0.81 | HSD17B1 (1.00) | HSD17B1HSD17B2RAB9ANPC1KMT2A | |
| SCHEMBL29710 | 0.81 | HSD17B1 (1.00) | HSD17B1HSD17B2RAB9ANPC1KMT2A | |
| SCHEMBL4919731 | 0.79 | RAB9A (1.00) | RAB9ANPC1KMT2AMEN1CYP3A4 | |
| SCHEMBL17433396 | 0.77 | RAB9A (0.62) | RAB9ANPC1KMT2AMEN1CYP3A4 | |
| SCHEMBL30919 | 0.77 | RAB9A (0.72) | HSD17B1HSD17B2RAB9ANPC1KMT2A | |
| SCHEMBL29886 | 0.77 | HSD17B1 (1.00) | HSD17B1HSD17B2RAB9ANPC1KMT2A | |
| SCHEMBL31033 | 0.75 | HSD17B1 (0.76) | HSD17B1HSD17B2RAB9ANPC1KMT2A | |
| SCHEMBL31055 | 0.75 | SCD (0.84) | HSD17B1HSD17B2RAB9ANPC1KMT2A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012025638-A1 | SELECTIVE 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS | Universität des Saarlandes (DE) | 2012-03-01 | — | — | WO | disclosed |