Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL740930 | 0.74 | NR1H2 (0.38) | ALDH1A1LMNAMAPK1CA2CA12 | |
| SCHEMBL8549434 | 0.65 | TSHR (0.44) | ALDH1A1LMNAMAPK1CA2CA12 | |
| SCHEMBL17900428 | 0.62 | NPSR1 (0.41) | ALDH1A1LMNAMAPK1CA2CA12 | |
| SCHEMBL17900429 | 0.62 | ALDH1A1 (0.37) | ALDH1A1LMNAMAPK1CA2CA12 | |
| SCHEMBL8498605 | 0.62 | GRM6 (0.40) | ALDH1A1MAPK1CA2CA12CA1 | |
| SCHEMBL8888381 | 0.62 | LMNA (0.44) | ALDH1A1LMNAMAPK1CA2CA1 | |
| SCHEMBL2412676 | 0.61 | ALDH1A1 (0.55) | ALDH1A1CA2CA12CA1CA9 | |
| SCHEMBL8887983 | 0.60 | KDM4E (0.46) | ALDH1A1LMNAMAPK1 | |
| SCHEMBL4345360 | 0.60 | DAO (0.53) | ALDH1A1LMNAMAPK1 | |
| SCHEMBL8549436 | 0.60 | DAO (0.48) | ALDH1A1LMNAMAPK1 |
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-8138217-B2 | Aurora kinase inhibitors; proliferative disorders; anticancer agents; antitumor agents; N-(1-methyl-1-phenylethyl)-3-((4-morpholin-4-ylbenzoyl)amino)-1H-thieno(2,3-c)pyrazole-5-carboxamide | NERVIANO MEDICAL SCIENCES S.R.L. (IT) | 2012-03-20 | — | — | US | disclosed |