Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FKBP1A | P62942 | 6/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.50 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.50 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.50 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.50 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.50 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.50 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.49 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.49 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.49 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.49 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL13287235 | 0.96 | ALDH1A1 (0.54) | FKBP1AALDH1A1HSD17B10L3MBTL1GABRA1 | |
| SCHEMBL23816359 | 0.91 | SMN1; SMN2 (0.55) | FKBP1AALDH1A1HSD17B10L3MBTL1GABRA1 | |
| SCHEMBL24131982 | 0.91 | SMN1; SMN2 (0.55) | FKBP1AALDH1A1HSD17B10L3MBTL1GABRA1 | |
| SCHEMBL19625794 | 0.84 | HPGD (0.55) | ALDH1A1L3MBTL1HPGDNPC1RAB9A | |
| SCHEMBL2703515 | 0.83 | FABP7 (0.55) | FKBP1AALDH1A1L3MBTL1NPC1RAB9A | |
| SCHEMBL13287204 | 0.82 | SMN1; SMN2 (0.57) | FKBP1AHPGDNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL924014 | 0.82 | GABRA1 (0.53) | FKBP1AALDH1A1HSD17B10L3MBTL1GABRA1 | |
| SCHEMBL31518977 | 0.81 | FABP7 (0.54) | FKBP1AALDH1A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL522278 | 0.81 | FABP7 (0.54) | FKBP1AALDH1A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL10951142 | 0.81 | FKBP1A (0.54) | FKBP1AALDH1A1L3MBTL1GABRA1GABRG2 |
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-2018026371-A1 | DUAL NAV1.2/5HT2A INHIBITORS FOR TREATING CNS DISORDERS | SUNOVION PHARMACEUTICALS INC. (US) | 2018-02-08 | — | — | WO | disclosed |