Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 1/20 | 0.37 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.36 |
| ▸ | THRA | P10827 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | LTA4H | P09960 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 2/20 | 0.33 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.33 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | BCHE | P06276 | 1/20 | 0.33 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.33 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.33 |
| ▸ | CASR | P41180 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6047648 | 0.83 | NAAA (0.42) | THRATHRBCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL6047626 | 0.83 | NPC1 (0.36) | CYP1A2CYP2C9CYP2C19HTTLTA4H | |
| SCHEMBL6047613 | 0.83 | THRA (0.39) | THRATHRBCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL6047622 | 0.80 | CYP24A1 (0.40) | THRATHRBMAPK14CYP1A2CYP2C9 | |
| SCHEMBL6047600 | 0.79 | ACHE (0.39) | THRATHRBCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL6047633 | 0.79 | PTPN1 (0.36) | CYP1A2CYP2C9CYP2C19LTA4HACHE | |
| SCHEMBL6047602 | 0.78 | NAAA (0.37) | THRATHRBMAPK14CYP1A2CYP2C9 | |
| SCHEMBL6047596 | 0.78 | ABL1 (0.45) | CYP2C9HTTLTA4HACHEMEN1 | |
| SCHEMBL6047594 | 0.77 | NAAA (0.40) | THRATHRBCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL6047659 | 0.76 | THRA (0.39) | THRATHRB |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2006501194-A | — | — | 2006-01-12 | — | — | JP | claimed |
| EP-1525190-A1 | CCK-1 RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA N.V. (BE) | 2005-04-27 | — | — | EP | claimed |
| WO-2004007463-A1 | CCK-1 RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA, N.V. (BE) | 2004-01-22 | — | — | WO | claimed |