Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 11/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.56 |
| ▸ | PNMT | P11086 | 6/20 | 0.55 |
| ▸ | MEN1 | O00255 | 2/20 | 0.52 |
| ▸ | HTT | P42858 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.52 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.52 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.52 |
| ▸ | PKM | P14618 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6329781 | 0.99 | HTR6 (0.61) | HTR6CYP3A4PNMTMEN1HTT | |
| SCHEMBL6167732 | 0.93 | HTR6 (0.65) | HTR6CYP3A4MEN1HTTKMT2A | |
| Hydrochloric Acid SCHEMBL6330320 | 0.91 | HTR6 (0.64) | HTR6CYP3A4MEN1HTTKMT2A | |
| SCHEMBL6336142 | 0.86 | HTR6 (0.53) | HTR6CYP3A4PNMTADRA2AADRA2B | |
| SCHEMBL6336148 | 0.85 | HTR6 (0.63) | HTR6CYP3A4PNMTADRA2AADRA2B | |
| SCHEMBL6338171 | 0.85 | HTR6 (0.54) | HTR6CYP3A4PNMTADRA2AADRA2B | |
| SCHEMBL6336766 | 0.85 | HTR6 (0.63) | HTR6CYP3A4PNMTADRA2AADRA2B | |
| SCHEMBL6330318 | 0.85 | HTR6 (0.54) | HTR6CYP3A4PNMTMEN1HTT | |
| SCHEMBL6332254 | 0.85 | PNMT (0.52) | HTR6CYP3A4PNMTADRA2AADRA2B | |
| SCHEMBL6332908 | 0.85 | HTR6 (0.64) | HTR6CYP3A4PNMTADRA2AADRA2B |
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-6849644-B2 | Isoquinoline derivatives useful in the treatment of CNS disorders | SMITHKLINE BEECHAM P.L.C. (GB) | 2005-02-01 | — | — | US | claimed |