Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB1 | P08588 | 7/20 | 0.51 |
| ▸ | HTR3E | A5X5Y0 | 3/20 | 0.51 |
| ▸ | HTR3B | O95264 | 3/20 | 0.51 |
| ▸ | HTR3A | P46098 | 3/20 | 0.51 |
| ▸ | HTR3D | Q70Z44 | 3/20 | 0.51 |
| ▸ | HTR3C | Q8WXA8 | 3/20 | 0.51 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | USP2 | O75604 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 1/20 | 0.45 |
| ▸ | MAPKAPK2 | P49137 | 2/20 | 0.44 |
| ▸ | LTA4H | P09960 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | TGFBR1 | P36897 | 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 | |
|---|---|---|---|---|
| SCHEMBL26472556 | 0.84 | NPC1 (0.51) | ALDH1A1KDM4ELMNAHTT | |
| SCHEMBL4573348 | 0.83 | ALDH1A1 (0.54) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL8099474 | 0.82 | ADRB1 (0.47) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL4541552 | 0.82 | ADRB1 (0.50) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL22910686 | 0.80 | ADRB1 (0.56) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL23582928 | 0.78 | ALDH1A1 (0.46) | ALDH1A1HSD17B10KDM4ELMNA | |
| SCHEMBL8974321 | 0.77 | CNR1 (0.54) | ALDH1A1HSD17B10LMNAHTT | |
| SCHEMBL2370283 | 0.76 | ADRB1 (0.47) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL12088780 | 0.76 | ADRB1 (0.58) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL270283 | 0.76 | ADRB1 (0.62) | ADRB1HTR3EHTR3BHTR3AHTR3D |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012064569-A1 | IMIDAZOLE DERIVATIVES | MERCK SHARP & DOHME CORP. (US) | 2012-05-18 | — | — | WO | disclosed |
| WO-2009001127-A1 | CYANOCYCLOPROPYLCARBOXAMIDES AS CATHEPSIN INHIBITORS | ASTRAZENECA AB (SE) | 2008-12-31 | — | — | WO | disclosed |
| WO-2009001127-A1 | CYANOCYCLOPROPYLCARBOXAMIDES AS CATHEPSIN INHIBITORS | ASTRAZENECA AB (SE) | 2008-12-31 | — | — | WO | disclosed |