Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA3 | P07451 | 1/20 | 0.39 |
| ▸ | CA4 | P22748 | 1/20 | 0.39 |
| ▸ | CA6 | P23280 | 1/20 | 0.39 |
| ▸ | CA5A | P35218 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.39 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | TACR1 | P25103 | 1/20 | 0.38 |
| ▸ | ACACB | O00763 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL14224488 | 0.86 | FNTA (0.40) | TSHRCA1CA2CA12CA3 | |
| SCHEMBL14197187 | 0.86 | TSHR (0.42) | TSHRCA1CA2CA12CA3 | |
| SCHEMBL14224777 | 0.82 | GAA (0.49) | ALDH1A1ACACBGAANPC1RAB9A | |
| SCHEMBL18251699 | 0.79 | ALDH1A1 (0.48) | ALDH1A1NPC1RAB9A | |
| SCHEMBL14224512 | 0.73 | KMT2A (0.49) | ALDH1A1 | |
| SCHEMBL1895974 | 0.72 | CA1 (0.70) | CA1CA2CA12CA3CA4 | |
| SCHEMBL14197096 | 0.72 | GAA (0.39) | TSHRCA1CA2CA12CA3 | |
| SCHEMBL14224657 | 0.71 | FNTA (0.44) | TSHRCA1CA2CA12CA3 | |
| SCHEMBL12840779 | 0.70 | CA1 (0.52) | CA1CA2CA12CA3CA4 | |
| SCHEMBL14197101 | 0.70 | FNTA (0.48) | CA1CA2CA12CA3CA4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7354919-B2 | Isoxazole compositions useful as inhibitors of ERK | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2008-04-08 | — | — | US | disclosed |