Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 3/20 | 0.70 |
| ▸ | HSD17B2 | P37059 | 3/20 | 0.70 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.52 |
| ▸ | HTT | P42858 | 3/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.52 |
| ▸ | TUBB | P07437 | 1/20 | 0.52 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.52 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.52 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.52 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.52 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.52 |
| ▸ | TUBB2A | Q13885 | 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 | |
|---|---|---|---|---|
| SCHEMBL30222 | 0.86 | HSD17B1 (0.79) | HSD17B1HSD17B2HTTCYP1A2CYP3A4 | |
| SCHEMBL427929 | 0.84 | TUBB4A (0.72) | HSD17B1HSD17B2ALDH1A1KDM4EHTT | |
| SCHEMBL22526 | 0.82 | HSD17B1 (1.00) | HSD17B1HSD17B2ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL11007700 | 0.79 | KMT2A (0.66) | HSD17B1HSD17B2ALDH1A1KDM4EHTT | |
| SCHEMBL31078 | 0.79 | RAB9A (0.65) | HSD17B1HSD17B2ALDH1A1KDM4EMEN1 | |
| SCHEMBL4088536 | 0.77 | HSD17B1 (0.68) | HSD17B1HSD17B2ALDH1A1KDM4EHTT | |
| SCHEMBL14021104 | 0.77 | RAB9A (0.62) | ALDH1A1KDM4EHTTL3MBTL1MEN1 | |
| SCHEMBL27623260 | 0.76 | HSD17B1 (0.67) | HSD17B1HSD17B2ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL28094523 | 0.75 | CYP1A2 (0.68) | ALDH1A1HTTCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL27246607 | 0.75 | HSD17B1 (0.60) | HSD17B1HSD17B2HTTCYP1A2CYP3A4 |
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 |