Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.65 |
| ▸ | MAPT | P10636 | 1/20 | 0.65 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.52 |
| ▸ | NPC1 | O15118 | 6/20 | 0.51 |
| ▸ | RAB9A | P51151 | 6/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | PPARA | Q07869 | 3/20 | 0.49 |
| ▸ | PLAU | P00749 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | PPARG | P37231 | 2/20 | 0.46 |
| ▸ | CA12 | O43570 | 2/20 | 0.46 |
| ▸ | CA9 | Q16790 | 2/20 | 0.46 |
| ▸ | PRKD1 | Q15139 | 2/20 | 0.46 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.46 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.46 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.46 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL5209891 | 0.91 | NPC1 (0.57) | TP53MAPTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL937517 | 0.90 | NPC1 (0.59) | TP53MAPTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL12171803 | 0.89 | NPC1 (0.65) | TP53MAPTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL1505201 | 0.89 | NPC1 (0.58) | TP53MAPTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL12171384 | 0.89 | NPC1 (0.52) | TP53MAPTNPC1RAB9APPARA | |
| SCHEMBL960012 | 0.87 | NPC1 (0.52) | TP53MAPTNPC1RAB9AALDH1A1 | |
| SCHEMBL960027 | 0.86 | PRKD1 (0.51) | TP53MAPTNPC1RAB9APPARA | |
| SCHEMBL12171582 | 0.86 | MAPT (0.53) | TP53MAPTNPC1RAB9APPARA | |
| SCHEMBL12171453 | 0.86 | TP53 (0.48) | TP53MAPTNPC1RAB9APPARA | |
| SCHEMBL937384 | 0.86 | ALDH1A1 (0.51) | TP53MAPTNPC1RAB9AALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011009484-A1 | ARYLPYRAZOLES AND ARYLISOXAZOLES AND THEIR USE AS PKD MODULATORS | NOVARTIS AG (CH) | 2011-01-27 | — | — | WO | disclosed |
| WO-2011009484-A1 | ARYLPYRAZOLES AND ARYLISOXAZOLES AND THEIR USE AS PKD MODULATORS | NOVARTIS AG (CH) | 2011-01-27 | — | — | WO | disclosed |