Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 15/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.49 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.49 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.49 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.49 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.49 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.49 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.49 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.49 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.49 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL5806224 | 1.00 | HDAC1 (0.57) | HDAC1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL5809231 | 0.93 | HDAC1 (0.67) | HDAC1HDAC3HDAC4HDAC7HDAC2 | |
| SCHEMBL8259001 | 0.93 | HDAC1 (0.67) | HDAC1HDAC3HDAC4HDAC7HDAC2 | |
| SCHEMBL8259692 | 0.89 | HDAC1 (0.55) | HDAC1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL5810781 | 0.89 | HDAC1 (0.55) | HDAC1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL5818156 | 0.86 | HDAC1 (0.61) | HDAC1 | |
| SCHEMBL5805540 | 0.85 | HDAC1 (0.56) | HDAC1HDAC3HDAC4HDAC7HDAC2 | |
| SCHEMBL8258353 | 0.85 | HDAC1 (0.56) | HDAC1HDAC3HDAC4HDAC7HDAC2 | |
| SCHEMBL8255855 | 0.84 | HDAC1 (0.61) | HDAC1HDAC3HDAC4HDAC7HDAC2 | |
| SCHEMBL5805384 | 0.84 | HDAC1 (0.61) | 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 |
|---|---|---|---|---|---|---|---|
| WO-2006101454-A1 | BENZOTHIOPHENE DERIVATIVES: PREPARATION AND PHARMACEUTICAL APPLICATIONS | S*BIO PTE LTD (SG) | 2006-09-28 | — | — | WO | disclosed |