Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DAO | P14920 | 5/20 | 0.52 |
| ▸ | B3GNT2 | Q9NY97 | 9/20 | 0.40 |
| ▸ | CALCRL | Q16602 | 1/20 | 0.34 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.34 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.34 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.34 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.34 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.34 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.34 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.32 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL640651 | 0.71 | POLB (0.59) | DAOB3GNT2MDM2 | |
| SCHEMBL640633 | 0.70 | B3GNT2 (0.54) | DAOB3GNT2MDM2 | |
| SCHEMBL12048963 | 0.70 | DAO (0.60) | DAOCALCRLGRIN2DGRIN3BGRIN1 | |
| SCHEMBL2258850 | 0.69 | DAO (0.58) | DAOCALCRLGRIN2DGRIN3BGRIN1 | |
| SCHEMBL12049332 | 0.68 | DAO (0.66) | DAOCALCRLGRIN2DGRIN3BGRIN1 | |
| SCHEMBL12793467 | 0.68 | DAO (0.42) | DAOB3GNT2HSD17B10 | |
| SCHEMBL12793452 | 0.64 | DAO (0.41) | DAOHSD17B10 | |
| SCHEMBL12793451 | 0.62 | MAPT (0.39) | DAOHSD17B10 | |
| SCHEMBL14198898 | 0.61 | DAO (0.55) | DAOCALCRLGRIN2DGRIN3BGRIN1 | |
| SCHEMBL16388856 | 0.60 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8003792-B2 | CGRP (Calcitonin Gene-Related Peptide); migraine and cluster headaches; 2-(5-Bromo-1'1'-dioxido-2-oxo-2',3',5',6'-tetrahydrospiro[indole-3,4'-thiopyran]-1 (2H)-yl)-N-(2'-oxo-1,1',2',3-tetrahydrospiro[indene-2,3'-pyrrolo[2,3-b]pyridin]-5-yl)acetamide for example; use with other drugs | MERCK SHARP & DOHME CORP. (US) | 2011-08-23 | — | — | US | disclosed |