Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.35 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.35 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.35 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.35 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.34 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4000765 | 0.80 | SLC6A4 (0.53) | SLC6A4HRH3 | |
| SCHEMBL8905123 | 0.73 | CA12 (0.44) | HTR2CCHRNB2CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL13960163 | 0.73 | PDK2 (0.35) | ALDH1A1KDM4ELMNANR3C1HTT | |
| SCHEMBL6715276 | 0.71 | SLC6A4 (0.53) | HTR2CHTR2ACHRNB2CHRNB4CHRNA3 | |
| SCHEMBL29356733 | 0.69 | MEN1 (0.60) | HTR2CCHRNB2CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL11639387 | 0.69 | MEN1 (0.60) | HTR2CCHRNB2CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL6491638 | 0.67 | HTR2C (0.72) | HTR2CHTR2ACHRNB2CHRNB4CHRNA3 | |
| Hydrochloric Acid SCHEMBL11798762 | 0.66 | SLC6A4 (0.53) | HTR2CSLC6A4HRH3CYP3A4 | |
| SCHEMBL3873820 | 0.66 | HTR2C (0.48) | HTR2CHTR2ACHRNB2CHRNB4CHRNA3 | |
| SCHEMBL17965635 | 0.66 | HTR2C (0.50) | HTR2CHTR2ACHRNB2CHRNB4CHRNA3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009005459-A1 | PHENYL-1,2, 3,4-TETRAHYDROISOQUINOLINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF A PAIN DISORDER | ASTRAZENECA AB (SE) | 2009-01-08 | — | — | WO | claimed |
| WO-2009005459-A1 | PHENYL-1,2, 3,4-TETRAHYDROISOQUINOLINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF A PAIN DISORDER | ASTRAZENECA AB (SE) | 2009-01-08 | — | — | WO | disclosed |