Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 4/20 | 0.35 |
| ▸ | LMNA | P02545 | 3/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.33 |
| ▸ | MMP1 | P03956 | 1/20 | 0.33 |
| ▸ | MMP9 | P14780 | 1/20 | 0.33 |
| ▸ | MMP13 | P45452 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11696351 | 0.82 | ALDH1A1 (0.55) | ALDH1A1SMN1; SMN2L3MBTL1MEN1KMT2A | |
| SCHEMBL28824639 | 0.79 | GAA (0.54) | ALDH1A1SMN1; SMN2L3MBTL1MEN1KMT2A | |
| SCHEMBL2586791 | 0.78 | CA2 (0.55) | ALDH1A1SMN1; SMN2KMT2AALOX15LMNA | |
| SCHEMBL10916595 | 0.77 | ENPP2 (0.54) | PTGS2 | |
| SCHEMBL565221 | 0.77 | LMNA (0.50) | ALDH1A1SMN1; SMN2L3MBTL1MAPTLMNA | |
| SCHEMBL855712 | 0.76 | ALDH1A1 (0.64) | ALDH1A1SMN1; SMN2L3MBTL1MEN1KMT2A | |
| SCHEMBL4874561 | 0.76 | CA2 (0.59) | ALDH1A1L3MBTL1KMT2AMAPTCA12 | |
| Potassium Ion SCHEMBL18916927 | 0.75 | LMNA (0.38) | ALDH1A1SMN1; SMN2MAPTLMNAHPGD | |
| SCHEMBL11670825 | 0.75 | LMNA (0.48) | ALDH1A1SMN1; SMN2L3MBTL1MAPTLMNA | |
| SCHEMBL11050677 | 0.75 | ALDH1A1 (0.44) | ALDH1A1SMN1; SMN2KMT2AMAPTLMNA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013067248-A1 | BENZOXAZINES AS MODULATORS OF ION CHANNELS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-05-10 | — | — | WO | disclosed |