Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 5/20 | 0.47 |
| ▸ | ITGA4 | P13612 | 4/20 | 0.47 |
| ▸ | ITGB7 | P26010 | 4/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.45 |
| ▸ | YAP1 | P46937 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.41 |
| ▸ | ITGAV | P06756 | 1/20 | 0.41 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.39 |
| ▸ | MME | P08473 | 1/20 | 0.38 |
| ▸ | ACE | P12821 | 1/20 | 0.38 |
| ▸ | CPA1 | P15085 | 1/20 | 0.38 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7230074 | 0.89 | ITGB1 (0.48) | ITGB1ITGA4ITGB7POLBYAP1 | |
| SCHEMBL6568912 | 0.81 | ITGB1 (0.51) | ITGB1ITGA4ITGB7ALDH1A1HSD17B10 | |
| SCHEMBL6568334 | 0.74 | ITGB1 (0.49) | ITGB1ITGA4ITGB3ITGAVITGA5 | |
| SCHEMBL6569673 | 0.73 | ITGB1 (0.52) | ITGB1ITGA4ITGB3ITGAVITGA5 | |
| SCHEMBL5608959 | 0.73 | ITGB1 (0.54) | ITGB1ITGA4ITGB7ALDH1A1L3MBTL1 | |
| SCHEMBL4423030 | 0.73 | ITGA4 (0.58) | ITGB1ITGA4ITGB7ALDH1A1ITGAV | |
| SCHEMBL3850695 | 0.73 | ITGA4 (0.58) | ITGB1ITGA4ITGB7ALDH1A1ITGAV | |
| SCHEMBL3858016 | 0.72 | ITGB1 (0.54) | ITGB1ITGA4ITGB7ALDH1A1ITGB3 | |
| SCHEMBL6568226 | 0.71 | ITGB1 (0.44) | ITGB1ITGA4ITGB7ITGB3ITGAV | |
| SCHEMBL6568926 | 0.71 | ITGB1 (0.44) | ITGB1ITGA4ITGB7ITGB3ITGAV |
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 |
|---|---|---|---|---|---|---|---|
| US-6545160-B2 | Alpha-aminoacetic acid derivatives bind alpha 4 beta 7 integrin, useful for treatment of inflammatory diseases in mammalian patient, such as asthma, Alzheimer's disease, atherosclerosis, AIDS dementia, diabetes, rheumatoid arthritis | ELAN PHARMACEUTICALS, INC. | 2003-04-08 | — | — | US | disclosed |
| EP-1161416-A1 | ALPHA-AMINOACETIC ACID DERIVATIVES USEFUL AS ALPHA 4 BETA 7 - RECEPTOR ANTAGONISTS | Elan Pharmaceuticals, Inc. (US) | 2001-12-12 | — | — | EP | disclosed |
| WO-2000051974-A1 | ALPHA-AMINOACETIC ACID DERIVATIVES USEFUL AS ALPHA 4 BETA 7 - RECEPTOR ANTAGONISTS | ELAN PHARMACEUTICALS, INC. (US) | 2000-09-08 | — | — | WO | disclosed |