Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 8/20 | 0.45 |
| ▸ | HTR2C | P28335 | 8/20 | 0.45 |
| ▸ | HTR2B | P41595 | 8/20 | 0.45 |
| ▸ | DPP4 | P27487 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | ENPP2 | Q13822 | 2/20 | 0.31 |
| ▸ | HRH2 | P25021 | 1/20 | 0.31 |
| ▸ | HRH1 | P35367 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
| ▸ | THRB | P10828 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4473909 | 0.86 | HTR2A (0.46) | HTR2AHTR2CHTR2BDPP4 | |
| SCHEMBL4483372 | 0.85 | HTR2A (0.51) | HTR2AHTR2CHTR2BDPP4POLB | |
| SCHEMBL13763136 | 0.78 | HTR2A (0.55) | HTR2AHTR2CHTR2B | |
| SCHEMBL13756865 | 0.72 | HTR2C (0.82) | HTR2AHTR2CHTR2B | |
| SCHEMBL13756868 | 0.72 | HTR2C (0.82) | HTR2AHTR2CHTR2B | |
| Hydrochloric Acid SCHEMBL4467012 | 0.71 | HTR2A (0.83) | HTR2AHTR2CHTR2B | |
| Hydrochloric Acid SCHEMBL4472459 | 0.71 | HTR2A (0.83) | HTR2AHTR2CHTR2B | |
| SCHEMBL13756911 | 0.70 | HTR2A (0.68) | HTR2AHTR2CHTR2BLMNAALDH1A1 | |
| Hydrochloric Acid SCHEMBL4467773 | 0.69 | HTR2A (0.69) | HTR2AHTR2CHTR2BLMNAALDH1A1 | |
| SCHEMBL13763057 | 0.69 | HTR2A (0.67) | HTR2AHTR2CHTR2BLMNAALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1778225-A2 | PYRROLO(OXO)ISOQUINOLINES AS 5HT LIGANDS | Bristol-Myers Squibb Company (US) | 2007-05-02 | — | — | EP | disclosed |
| WO-2006019886-A2 | PYRROLO(OXO)ISOQUINOLINES AS 5HT LIGANDS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2006-02-23 | — | — | WO | disclosed |