Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 4/20 | 0.44 |
| ▸ | HTR2C | P28335 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | IMPDH2 | P12268 | 3/20 | 0.43 |
| ▸ | GPR84 | Q9NQS5 | 2/20 | 0.41 |
| ▸ | HTR6 | P50406 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | PLG | P00747 | 1/20 | 0.38 |
| ▸ | PLAU | P00749 | 1/20 | 0.38 |
| ▸ | MPO | P05164 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | HTR1D | P28221 | 1/20 | 0.38 |
| ▸ | HTR1B | P28222 | 1/20 | 0.38 |
| ▸ | HTR7 | P34969 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5484715 | 0.81 | HTR2A (0.51) | HTR2AHTR2CHPGDCYP2C19IMPDH2 | |
| SCHEMBL398434 | 0.81 | HTR2A (0.51) | HTR2AHTR2CHPGDCYP2C19IMPDH2 | |
| SCHEMBL30708153 | 0.80 | GPR84 (0.67) | HTR2AHTR2CGPR84HTR6HTR1D | |
| SCHEMBL25139643 | 0.80 | GPR84 (0.67) | HTR2AHTR2CGPR84HTR6HTR1D | |
| SCHEMBL17024241 | 0.80 | CYP2A6 (0.58) | HTR2AHTR2CIMPDH2GPR84HTR6 | |
| SCHEMBL4185239 | 0.79 | HTR2A (0.53) | HTR2AHTR2CHPGDCYP2C19IMPDH2 | |
| SCHEMBL5742536 | 0.77 | GPR84 (0.49) | HTR2AHTR2CHPGDCYP2C19IMPDH2 | |
| SCHEMBL28551447 | 0.75 | ALDH1A1 (0.56) | HTR2AHTR2CHPGDCYP2C19IMPDH2 | |
| SCHEMBL107104 | 0.75 | MEN1 (0.62) | HTR2AHTR2CHPGDCYP2C19IMPDH2 | |
| SCHEMBL29376106 | 0.75 | MEN1 (0.62) | HTR2AHTR2CHPGDCYP2C19IMPDH2 |
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-2509954-A1 | 4 -OXO- 1H -QUINOLINE- 3 - CARBOXAMIDES AS MODULATORS OF ATP -BINDING CASSETTE TRANSPORTERS | Vertex Pharmaceuticals Incorporated (US) | 2012-10-17 | — | — | EP | disclosed |
| WO-2011072241-A1 | 4 -OXO- IH -QUINOLINE- 3 - CARBOXAMIDES AS MODULATORS OF ATP -BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-06-16 | — | — | WO | disclosed |