Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.41 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.41 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.41 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.39 |
| ▸ | KDR | P35968 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.37 |
| ▸ | LTA4H | P09960 | 4/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 5/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | PSMB1 | P20618 | 1/20 | 0.36 |
| ▸ | PSMB5 | P28074 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1096014 | 0.85 | HDAC3 (0.56) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL30420765 | 0.77 | TAAR1 (0.54) | CHRNB2CHRNA4TAAR1LTA4HHRH3 | |
| SCHEMBL2324632 | 0.77 | TAAR1 (0.54) | CHRNB2CHRNA4TAAR1LTA4HHRH3 | |
| SCHEMBL7097968 | 0.70 | CHRNB2 (0.66) | CHRNB2CHRNA4LTA4HHRH3PSMB1 | |
| SCHEMBL1095002 | 0.70 | SMN1; SMN2 (0.38) | KDRTAAR1 | |
| SCHEMBL15865996 | 0.70 | HRH3 (0.38) | HRH3PSMB1PSMB5PSMB2 | |
| SCHEMBL9944259 | 0.69 | PSMB1 (0.44) | HRH3KCNH2PSMB1PSMB5PSMB2 | |
| SCHEMBL27995047 | 0.68 | HRH3 (0.60) | CHRNB2CHRNA4HRH3KCNH2 | |
| SCHEMBL29094266 | 0.68 | TAAR1 (0.74) | TAAR1LTA4H | |
| SCHEMBL6979241 | 0.68 | TDP1 (0.36) | LTA4HHRH3PSMB1PSMB5PSMB2 |
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-8153791-B2 | substituted pyrimidine compoundssuch as 4-amino-6-(3-chloro-4-fluoro-phenylamino)-pyrimidine-5-carbaldehyde O-methyl oxime, used for treating, preventing or ameliorating a chronic or acute protein kinase mediated diseasea, disorders or conditions | JANSSEN PHARMACEUTICA N.V. (BE) | 2012-04-10 | — | — | US | claimed |
| US-8153791-B2 | substituted pyrimidine compoundssuch as 4-amino-6-(3-chloro-4-fluoro-phenylamino)-pyrimidine-5-carbaldehyde O-methyl oxime, used for treating, preventing or ameliorating a chronic or acute protein kinase mediated diseasea, disorders or conditions | JANSSEN PHARMACEUTICA N.V. (BE) | 2012-04-10 | — | — | US | disclosed |