Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 11/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.61 |
| ▸ | POLB | P06746 | 1/20 | 0.58 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.58 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.53 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.53 |
| ▸ | PNMT | P11086 | 4/20 | 0.49 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.48 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.48 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.48 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.48 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.48 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.48 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.48 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.48 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.46 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL6338119 | 0.92 | HTR6 (0.61) | HTR6CYP3A4POLBL3MBTL1PNMT | |
| SCHEMBL6336148 | 0.84 | HTR6 (0.63) | HTR6CYP3A4PNMTADRA2AADRA2B | |
| SCHEMBL6338171 | 0.84 | HTR6 (0.54) | HTR6CYP3A4PNMTADRA2AADRA2B | |
| SCHEMBL6330318 | 0.84 | HTR6 (0.54) | HTR6CYP3A4L3MBTL1PNMTMEN1 | |
| SCHEMBL6329311 | 0.83 | PNMT (0.49) | HTR6CYP3A4L3MBTL1PNMTMEN1 | |
| SCHEMBL6328762 | 0.82 | HTR6 (0.62) | HTR6CYP3A4L3MBTL1PNMTMEN1 | |
| Hydrochloric Acid SCHEMBL6329781 | 0.81 | HTR6 (0.61) | HTR6CYP3A4L3MBTL1PNMTMEN1 | |
| SCHEMBL6332952 | 0.80 | HTR6 (0.55) | HTR6CYP3A4PNMTADRA2AADRA2B | |
| SCHEMBL6332254 | 0.79 | PNMT (0.52) | HTR6CYP3A4PNMTADRA2AADRA2B | |
| SCHEMBL949712 | 0.79 | HTR6 (0.84) | HTR6CYP3A4POLBL3MBTL1HDAC1 |
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-6849644-B2 | Isoquinoline derivatives useful in the treatment of CNS disorders | SMITHKLINE BEECHAM P.L.C. (GB) | 2005-02-01 | — | — | US | claimed |
| US-6849644-B2 | Isoquinoline derivatives useful in the treatment of CNS disorders | SMITHKLINE BEECHAM P.L.C. (GB) | 2005-02-01 | — | — | US | disclosed |