Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 2/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | CA9 | Q16790 | 2/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | CASP1 | P29466 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.38 |
| ▸ | CNR1 | P21554 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 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 | |
|---|---|---|---|---|
| SCHEMBL7221456 | 0.80 | SMN1; SMN2 (0.44) | PTGS1PTGS2SMN1; SMN2TAAR1GLA | |
| SCHEMBL7452648 | 0.78 | TAAR1 (0.53) | SMN1; SMN2TAAR1GLAALDH1A1L3MBTL1 | |
| SCHEMBL7230439 | 0.78 | TAAR1 (0.53) | SMN1; SMN2TAAR1GLAALDH1A1L3MBTL1 | |
| SCHEMBL7452644 | 0.78 | TAAR1 (0.53) | SMN1; SMN2TAAR1GLAALDH1A1L3MBTL1 | |
| SCHEMBL188674 | 0.75 | PTGS1 (0.41) | PTGS1PTGS2ALDH1A1L3MBTL1SIGMAR1 | |
| SCHEMBL7223358 | 0.74 | HSD17B10 (0.56) | PTGS1PTGS2TAAR1ALDH1A1HSD17B10 | |
| SCHEMBL5002695 | 0.74 | HSD17B10 (0.56) | PTGS1PTGS2TAAR1ALDH1A1HSD17B10 | |
| SCHEMBL3165178 | 0.72 | GRM2 (0.50) | CA1CA2CA9CA12HTT | |
| SCHEMBL4579456 | 0.72 | CYP2C9 (0.49) | PTGS1PTGS2TAAR1CA1CA2 | |
| SCHEMBL16191209 | 0.71 | ALDH1A1 (0.49) | HTTALDH1A1MEN1KMT2ACNR1 |
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-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 |