Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 2/20 | 0.51 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.51 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 3/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.45 |
| ▸ | CYP11B1 | P15538 | 4/20 | 0.45 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | APP | P05067 | 3/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.44 |
| ▸ | PDE4A | P27815 | 1/20 | 0.43 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | CASP3 | P42574 | 1/20 | 0.41 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL18551784 | 0.81 | GSK3B (0.56) | HSD17B1HSD17B2GSTP1NPC1RAB9A | |
| SCHEMBL18539942 | 0.79 | HSD17B1 (0.50) | HSD17B1HSD17B2GSTP1NPC1RAB9A | |
| SCHEMBL11723032 | 0.75 | HSD17B1 (0.83) | HSD17B1HSD17B2GSTP1NPC1RAB9A | |
| SCHEMBL12051687 | 0.75 | HSD17B1 (0.83) | HSD17B1HSD17B2GSTP1NPC1RAB9A | |
| SCHEMBL3020390 | 0.72 | HSD17B1 (0.76) | HSD17B1HSD17B2GSTP1NPC1RAB9A | |
| SCHEMBL22106285 | 0.72 | HSD17B1 (0.76) | HSD17B1HSD17B2GSTP1NPC1RAB9A | |
| SCHEMBL14041533 | 0.72 | HSD17B1 (0.76) | HSD17B1HSD17B2GSTP1NPC1RAB9A | |
| SCHEMBL6579774 | 0.71 | APP (0.60) | NPC1RAB9ACYP1A2CYP3A4APP | |
| SCHEMBL29447161 | 0.71 | CYP1A2 (0.79) | HSD17B1HSD17B2GSTP1NPC1RAB9A | |
| SCHEMBL443070 | 0.71 | CYP1A2 (0.79) | HSD17B1HSD17B2GSTP1NPC1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015164411-A9 | SMALL MOLECULE INHIBITORS OF G PROTEIN COUPLED RECEPTOR 6 KINASE POLYPEPTIDES | MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) | 2016-05-26 | — | — | WO | disclosed |
| WO-2015164411-A2 | SMALL MOLECULE INHIBITORS OF G PROTEIN COUPLED RECEPTOR 6 KINASES POLYPEPTIDES | MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) | 2015-10-29 | — | — | WO | disclosed |