Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.57 |
| ▸ | CA1 | P00915 | 2/20 | 0.57 |
| ▸ | CA2 | P00918 | 2/20 | 0.57 |
| ▸ | CA4 | P22748 | 2/20 | 0.57 |
| ▸ | CA6 | P23280 | 2/20 | 0.57 |
| ▸ | CA7 | P43166 | 2/20 | 0.57 |
| ▸ | CA9 | Q16790 | 2/20 | 0.57 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.57 |
| ▸ | TPMT | P51580 | 1/20 | 0.57 |
| ▸ | HTT | P42858 | 2/20 | 0.54 |
| ▸ | TSHR | P16473 | 2/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | TTR | P02766 | 2/20 | 0.48 |
| ▸ | PLA2G4A | P47712 | 3/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 2/20 | 0.46 |
| ▸ | CA3 | P07451 | 1/20 | 0.46 |
| ▸ | CA5A | P35218 | 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 | |
|---|---|---|---|---|
| SCHEMBL30143532 | 0.82 | CA12 (0.62) | CA12CA1CA2CA4CA6 | |
| SCHEMBL2784039 | 0.82 | CA12 (0.62) | CA12CA1CA2CA4CA6 | |
| SCHEMBL16545178 | 0.82 | CA12 (0.54) | CA12CA1CA2CA4CA6 | |
| SCHEMBL6859656 | 0.82 | CA12 (0.67) | CA12CA1CA2CA4CA6 | |
| SCHEMBL2592749 | 0.82 | CA12 (0.67) | CA12CA1CA2CA4CA6 | |
| SCHEMBL2424457 | 0.80 | CA12 (0.65) | CA12CA1CA2CA4CA6 | |
| Veratric Acid SCHEMBL11252316 | 0.79 | CA12 (0.74) | CA12CA1CA2CA4CA6 | |
| SCHEMBL1176162 | 0.79 | ALDH1A1 (0.59) | CA12CA1CA2CA4CA6 | |
| SCHEMBL12472557 | 0.79 | EPHX2 (0.48) | TSHRMAPK1 | |
| SCHEMBL1251597 | 0.79 | CA12 (0.62) | CA12CA1CA2CA4CA6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2595989-A1 | HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS | Vertex Pharmaceuticals Incorporated (US) | 2013-05-29 | — | — | EP | disclosed |
| WO-2013067248-A1 | BENZOXAZINES AS MODULATORS OF ION CHANNELS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-05-10 | — | — | WO | disclosed |
| WO-2011140425-A1 | HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-11-10 | — | — | WO | disclosed |