Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RORC | P51449 | 5/20 | 0.46 |
| ▸ | MCL1 | Q07820 | 5/20 | 0.46 |
| ▸ | BCL2L1 | Q07817 | 3/20 | 0.46 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.42 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.42 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.42 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.42 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.42 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.42 |
| ▸ | NR1H2 | P55055 | 4/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL13744464 | 0.81 | NR1I2 (0.39) | RORCALDH1A1CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL7665285 | 0.77 | ALDH1A1 (0.45) | ALDH1A1CYP3A4CYP2C9CYP2C19NPSR1 | |
| SCHEMBL15980998 | 0.76 | MCL1 (0.63) | RORCMCL1BCL2L1NR1H2ATM | |
| SCHEMBL15366970 | 0.75 | RORC (0.60) | RORCMCL1BCL2L1PSEN1PSEN2 | |
| SCHEMBL3655042 | 0.72 | NPSR1 (0.43) | RORCMCL1BCL2L1ATMALDH1A1 | |
| SCHEMBL2578313 | 0.70 | MCL1 (0.50) | RORCMCL1BCL2L1PSEN1PSEN2 | |
| SCHEMBL28129570 | 0.70 | MCL1 (0.62) | RORCMCL1BCL2L1NR1H2ATM | |
| SCHEMBL15780648 | 0.69 | RORC (0.55) | RORCMCL1PSEN1PSEN2APH1B | |
| SCHEMBL15782089 | 0.69 | RORC (0.52) | RORCMCL1PSEN1PSEN2APH1B | |
| SCHEMBL27939445 | 0.69 | MCL1 (0.52) | RORCMCL1BCL2L1PSEN1PSEN2 |
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-2220065-A2 | MODULATORS OF CCR9 RECEPTOR AND METHODS OF USE THEREOF | ENCYSIVE PHARMACEUTICALS, INC. (US) | 2010-08-25 | — | — | EP | disclosed |
| WO-2009017719-A2 | MODULATORS OF CCR9 RECEPTOR AND METHODS OF USE THEREOF | ENCYSIVE PHARMACEUTICALS, INC. (US) | 2009-02-05 | — | — | WO | disclosed |