Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 6/20 | 0.68 |
| ▸ | HDAC3 | O15379 | 5/20 | 0.68 |
| ▸ | HDAC4 | P56524 | 5/20 | 0.68 |
| ▸ | HDAC7 | Q8WUI4 | 5/20 | 0.68 |
| ▸ | HDAC2 | Q92769 | 5/20 | 0.68 |
| ▸ | HDAC10 | Q969S8 | 5/20 | 0.68 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.68 |
| ▸ | HDAC8 | Q9BY41 | 5/20 | 0.68 |
| ▸ | HDAC6 | Q9UBN7 | 5/20 | 0.68 |
| ▸ | HDAC9 | Q9UKV0 | 5/20 | 0.68 |
| ▸ | HDAC5 | Q9UQL6 | 5/20 | 0.68 |
| ▸ | ABL1 | P00519 | 12/20 | 0.65 |
| ▸ | SRC | P12931 | 6/20 | 0.65 |
| ▸ | LCK | P06239 | 4/20 | 0.65 |
| ▸ | BCR | P11274 | 3/20 | 0.65 |
| ▸ | PKMYT1 | Q99640 | 3/20 | 0.65 |
| ▸ | EPHB6 | O15197 | 2/20 | 0.65 |
| ▸ | EGFR | P00533 | 2/20 | 0.65 |
| ▸ | FYN | P06241 | 2/20 | 0.65 |
| ▸ | CSF1R | P07333 | 2/20 | 0.65 |
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 | |
|---|---|---|---|---|
| SCHEMBL1147166 | 0.91 | HDAC3 (0.81) | HDAC1HDAC3HDAC4HDAC7HDAC2 | |
| SCHEMBL14153376 | 0.88 | ABL1 (0.83) | HDAC1HDAC3HDAC4HDAC7HDAC2 | |
| SCHEMBL28534533 | 0.87 | ABL1 (0.65) | HDAC1HDAC3HDAC4HDAC7HDAC2 | |
| SCHEMBL22452260 | 0.84 | HDAC3 (0.77) | HDAC1HDAC3HDAC4HDAC7HDAC2 | |
| SCHEMBL14067014 | 0.84 | HDAC3 (0.82) | HDAC1HDAC3HDAC4HDAC7HDAC2 | |
| SCHEMBL28515973 | 0.84 | HDAC1 (0.63) | HDAC1HDAC3HDAC4HDAC7HDAC2 | |
| SCHEMBL1147164 | 0.83 | HDAC3 (0.82) | HDAC1HDAC3HDAC4HDAC7HDAC2 | |
| SCHEMBL22604972 | 0.83 | HDAC3 (0.79) | HDAC1HDAC3HDAC4HDAC7HDAC2 | |
| SCHEMBL29816897 | 0.83 | HDAC3 (0.79) | HDAC1HDAC3HDAC4HDAC7HDAC2 | |
| SCHEMBL31634945 | 0.82 | ABL1 (0.89) | HDAC1HDAC3HDAC4HDAC7HDAC2 |
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-7622473-B2 | 'N-(2-chloro-6-methylphenyl)-2-[[(6-[4-(2-hydroxyethyl)-1-piperazinyl]-2-methyl-4-pyrimidinyl]amino]-5-thiazolecarboxamides metabolites | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-11-24 | — | — | US | disclosed |