Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 2/20 | 0.43 |
| ▸ | HTR2C | P28335 | 2/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
| ▸ | HTR7 | P34969 | 1/20 | 0.43 |
| ▸ | HTR6 | P50406 | 1/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | EGFR | P00533 | 1/20 | 0.39 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.37 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | SELP | P16109 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
| ▸ | TYR | P14679 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4265407 | 0.86 | HTR1A (0.56) | HTR1AHTR2CHTR2ASLC6A4HTR7 | |
| SCHEMBL4264302 | 0.84 | HTR1A (0.43) | HTR1AHTR2CHTR2ASLC6A4HTR7 | |
| SCHEMBL4266223 | 0.83 | TRPV1 (0.51) | PTGS2TRPV1HPGDKDM4EALDH1A1 | |
| SCHEMBL4266221 | 0.83 | TRPV1 (0.51) | PTGS2TRPV1HPGDKDM4EALDH1A1 | |
| SCHEMBL4267922 | 0.82 | HPGD (0.51) | HTR1AHTR2CHTR2ASLC6A4HTR7 | |
| SCHEMBL4267925 | 0.82 | HPGD (0.51) | HTR1AHTR2CHTR2ASLC6A4HTR7 | |
| SCHEMBL4270105 | 0.81 | HTR1A (0.43) | HTR1AHTR2CHTR2ASLC6A4HTR7 | |
| Pyrrole SCHEMBL4270409 | 0.81 | ALDH1A1 (0.40) | HTR1AHTR2CPTGS2PTGS1HPGD | |
| SCHEMBL4427869 | 0.75 | ALDH1A1 (0.36) | HTR1AHTR2CHTR2ASLC6A4HTR7 | |
| SCHEMBL4269322 | 0.74 | KDM4E (0.47) | HTR1AHTR2CPTGS2PTGS1HPGD |
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-2009110002-A1 | NOVEL EFFLUX PUMP INHIBITORS | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) | 2009-09-11 | — | — | WO | disclosed |