Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.49 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.49 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.49 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.49 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | SLC5A1 | P13866 | 1/20 | 0.37 |
| ▸ | SLC5A2 | P31639 | 1/20 | 0.37 |
| ▸ | AKT1 | P31749 | 3/20 | 0.36 |
| ▸ | MAOB | P27338 | 3/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | DYRK3 | O43781 | 2/20 | 0.36 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.36 |
| ▸ | PRKD3 | O94806 | 2/20 | 0.36 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7456965 | 1.00 | CHRNB2 (0.49) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL25453025 | 0.90 | AKT1 (0.40) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL30192330 | 0.82 | AKT1 (0.37) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL3860495 | 0.82 | KDM4E (0.62) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL3860493 | 0.82 | KDM4E (0.62) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL19244277 | 0.80 | KDM4E (0.68) | KDM4ESMN1; SMN2ALDH1A1KMT2AMAOB | |
| SCHEMBL19244276 | 0.80 | KDM4E (0.68) | KDM4ESMN1; SMN2ALDH1A1KMT2AMAOB | |
| SCHEMBL19244371 | 0.79 | NPC1 (0.57) | KDM4ESMN1; SMN2ALDH1A1KMT2ASLC5A1 | |
| SCHEMBL19244373 | 0.79 | NPC1 (0.57) | KDM4ESMN1; SMN2ALDH1A1KMT2ASLC5A1 | |
| SCHEMBL29985733 | 0.78 | PADI4 (0.38) | KDM4ESMN1; SMN2ALDH1A1KMT2AESR1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6268378-B1 | TREATING AND PREVENTING OSTEOPOROSIS, AND INHIBITING VASCULAR RESTENOSIS, DIABETIC RETINOPATHY, MACULAR DEGENERATION, ANGIOGENESIS, ATHEROSCLEROSIS, INFLAMMATION, VIRAL DISEASE, AND TUMOR GROWTH. | MERCK & CO., INC. | 2001-07-31 | — | — | US | disclosed |
| EP-1040111-A1 | INTEGRIN RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 2000-10-04 | — | — | EP | disclosed |
| US-6066648-A | USEFUL IN INHIBITING BONE RESORPTION, TREATING AND PREVENTING OSTEOPOROSIS, AND INHIBITING VASCULAR RESTENOSIS, DIABETIC RETINOPATHY, MACULAR DEGENERATION, ANGIOGENESIS, ATHEROSCLEROSIS, INFLAMMATION, VIRAL DISEASE, AND TUMOR GROWTH | MERCK & CO., INC. (US) | 2000-05-23 | — | — | US | disclosed |
| US-6017926-A | Integrin receptor antagonists | MERCK & CO., INC. (US) | 2000-01-25 | — | — | US | disclosed |
| WO-1999031099-A1 | INTEGRIN RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 1999-06-24 | — | — | WO | disclosed |