Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | SLC5A1 | P13866 | 4/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | KCNJ6 | P48051 | 1/20 | 0.33 |
| ▸ | KCNJ5 | P48544 | 1/20 | 0.33 |
| ▸ | KCNJ3 | P48549 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.33 |
| ▸ | FPR2 | P25090 | 1/20 | 0.33 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | CASP3 | P42574 | 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 | |
|---|---|---|---|---|
| SCHEMBL6983706 | 0.86 | HTT (0.36) | CYP3A4CYP2C9GAANPSR1ALDH1A1 | |
| SCHEMBL6982469 | 0.82 | CYP2C9 (0.39) | CYP3A4CYP2C9CYP1A2GAACYP2C19 | |
| SCHEMBL6986812 | 0.79 | ALDH1A1 (0.40) | GAANPSR1ALDH1A1LMNATSHR | |
| SCHEMBL6987183 | 0.79 | TSHR (0.45) | NPSR1ALDH1A1TSHRHTT | |
| SCHEMBL6985846 | 0.78 | BCL2 (0.41) | GAANPSR1SLC5A1ALDH1A1TSHR | |
| SCHEMBL6979346 | 0.78 | ALDH1A1 (0.41) | CYP3A4CYP2C9CYP1A2CYP2C19NPSR1 | |
| SCHEMBL6987419 | 0.77 | ALDH1A1 (0.43) | ALDH1A1TSHRHTT | |
| SCHEMBL6982869 | 0.76 | PKM (0.40) | NPSR1ALDH1A1TSHRHTT | |
| SCHEMBL6987616 | 0.76 | GRM5 (0.38) | NPSR1ALDH1A1TSHRHTT | |
| SCHEMBL6986605 | 0.75 | HTT (0.48) | GAANPSR1ALDH1A1TSHRHTT |
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-1313733-A1 | PYRAZOLOPYRIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2003-05-28 | — | — | EP | disclosed |
| WO-2002018382-A1 | PYRAZOLOPYRIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2002-03-07 | — | — | WO | disclosed |