Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.55 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.54 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.54 |
| ▸ | BTK | Q06187 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | BRAF | P15056 | 3/20 | 0.52 |
| ▸ | LCK | P06239 | 3/20 | 0.52 |
| ▸ | CSF1R | P07333 | 3/20 | 0.52 |
| ▸ | KIT | P10721 | 3/20 | 0.51 |
| ▸ | ABL1 | P00519 | 2/20 | 0.51 |
| ▸ | EGFR | P00533 | 2/20 | 0.50 |
| ▸ | F10 | P00742 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | HPGDS | O60760 | 1/20 | 0.49 |
| ▸ | SUCNR1 | Q9BXA5 | 1/20 | 0.48 |
| ▸ | BCR | P11274 | 1/20 | 0.48 |
| ▸ | KDR | P35968 | 1/20 | 0.48 |
| ▸ | ERBB4 | Q15303 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL30530313 | 0.88 | HDAC1 (0.62) | HDAC6HDAC1ACKR3BTKLMNA | |
| SCHEMBL27955792 | 0.88 | RAB9A (0.57) | HDAC1ACKR3LMNASMN1; SMN2 | |
| SCHEMBL4828091 | 0.86 | HPGDS (0.59) | HDAC6HDAC1BTKBRAFCSF1R | |
| SCHEMBL27955759 | 0.85 | HTT (0.57) | HDAC6HDAC1ACKR3BTKHTT | |
| SCHEMBL15651745 | 0.82 | BTK (0.65) | HDAC6BTKLMNAKITSMN1; SMN2 | |
| SCHEMBL13626446 | 0.81 | SMN1; SMN2 (0.71) | HDAC6HDAC1BTKLMNAHTT | |
| SCHEMBL724511 | 0.80 | BTK (0.60) | HDAC6BTKLMNABRAFLCK | |
| SCHEMBL25848113 | 0.80 | BTK (0.60) | HDAC6BTKLMNABRAFLCK | |
| SCHEMBL846560 | 0.80 | BTK (0.65) | HDAC6BTKLCKCSF1RKIT | |
| SCHEMBL31436860 | 0.80 | BTK (0.65) | HDAC6BTKLCKCSF1RKIT |
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 |
|---|---|---|---|---|---|---|---|
| CN-104177363-A | Bicyclic heterocyclic amine Hedgehog signal pathway inhibitor | JIANGSU SIMCERE PHARMACEUTICAL | 2014-12-03 | — | — | CN | disclosed |