Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 7/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | HTR2C | P28335 | 4/20 | 0.47 |
| ▸ | HTR1A | P08908 | 8/20 | 0.43 |
| ▸ | HTR1B | P28222 | 8/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | HTR6 | P50406 | 3/20 | 0.42 |
| ▸ | HTR1D | P28221 | 7/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.41 |
| ▸ | HTR7 | P34969 | 2/20 | 0.41 |
| ▸ | MPO | P05164 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | CTSK | P43235 | 1/20 | 0.41 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL397322 | 1.00 | HTR2A (0.50) | HTR2AMEN1KMT2AHTR2CHTR1A | |
| SCHEMBL15074675 | 0.84 | HTR2A (0.63) | HTR2AMEN1KMT2AHTR2CHTR1A | |
| SCHEMBL11924512 | 0.82 | HTR1A (0.51) | HTR2AMEN1KMT2AHTR2CHTR1A | |
| SCHEMBL5497325 | 0.81 | HTR2A (0.43) | HTR2AMEN1KMT2AHTR2CHTR1A | |
| SCHEMBL5145582 | 0.80 | HTR2A (0.54) | HTR2AMEN1KMT2AHTR2CHTR1A | |
| SCHEMBL8957544 | 0.80 | HTR1D (0.51) | HTR2AMEN1KMT2AHTR2CHTR1A | |
| SCHEMBL398434 | 0.79 | HTR2A (0.51) | HTR2AMEN1KMT2AHTR2CHTR1A | |
| SCHEMBL5484715 | 0.79 | HTR2A (0.51) | HTR2AMEN1KMT2AHTR2CHTR1A | |
| SCHEMBL27797581 | 0.79 | HPGD (0.49) | HTR2AMEN1KMT2AHTR2CHTR1A | |
| SCHEMBL13651810 | 0.78 | HTR2A (0.58) | HTR2AMEN1KMT2AHTR2CHTR1A |
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-1773816-A2 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | Vertex Pharmaceuticals Incorporated (US) | 2007-04-18 | — | — | EP | disclosed |
| WO-2006002421-A2 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2006-01-05 | — | — | WO | disclosed |