Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABL1 | P00519 | 2/20 | 0.64 |
| ▸ | BCR | P11274 | 2/20 | 0.64 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | AURKA | O14965 | 2/20 | 0.45 |
| ▸ | KDR | P35968 | 1/20 | 0.44 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | PRKAB2 | O43741 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL741481 | 0.99 | ABL1 (0.62) | ABL1BCRCYP2C9KMT2ALMNA | |
| SCHEMBL743418 | 0.98 | ABL1 (0.60) | ABL1BCRCYP2C9KMT2ALMNA | |
| SCHEMBL743126 | 0.93 | ABL1 (0.62) | ABL1BCRCYP2C9KMT2ALMNA | |
| SCHEMBL740986 | 0.92 | ABL1 (0.54) | ABL1BCRKMT2ALMNAAURKA | |
| SCHEMBL742323 | 0.92 | ABL1 (0.61) | ABL1BCRCYP2C9KMT2ALMNA | |
| SCHEMBL740752 | 0.91 | ABL1 (0.76) | ABL1BCRCYP2C9KMT2AAURKA | |
| SCHEMBL741183 | 0.91 | ABL1 (0.76) | ABL1BCRCYP2C9KMT2AAURKA | |
| SCHEMBL742456 | 0.91 | ABL1 (0.65) | ABL1BCRCYP2C9AURKAKDR | |
| SCHEMBL742638 | 0.91 | ABL1 (0.74) | ABL1BCRCYP2C9KMT2AAURKA | |
| SCHEMBL740798 | 0.90 | ABL1 (0.59) | ABL1BCRCYP2C9KMT2ALMNA |
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 2 patents. 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 | claimed |
| 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 |