Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.56 |
| ▸ | RAB9A | P51151 | 5/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | MYC | P01106 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | PPARA | Q07869 | 1/20 | 0.41 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.40 |
| ▸ | APEX1 | P27695 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL12796836 | 0.92 | NPC1 (0.62) | NPC1RAB9AALDH1A1CA12CA1 | |
| SCHEMBL18708460 | 0.88 | ALDH1A1 (0.50) | NPC1RAB9AALDH1A1KMT2AMYC | |
| SCHEMBL12171938 | 0.82 | CA12 (0.70) | NPC1RAB9ACA12CA1CA2 | |
| SCHEMBL12171792 | 0.81 | NPC1 (0.64) | NPC1RAB9AALDH1A1KMT2AMYC | |
| SCHEMBL12871392 | 0.79 | ALDH1A1 (0.58) | NPC1RAB9AALDH1A1KMT2AMYC | |
| SCHEMBL19153437 | 0.79 | NPC1 (0.54) | NPC1RAB9AALDH1A1CA12CA1 | |
| SCHEMBL5203777 | 0.75 | NPC1 (0.72) | NPC1RAB9AALDH1A1KMT2AMYC | |
| SCHEMBL12171480 | 0.75 | RAB9A (0.81) | NPC1RAB9AALDH1A1KMT2AMYC | |
| SCHEMBL4883318 | 0.74 | NPC1 (1.00) | NPC1RAB9AALDH1A1CA1CA2 | |
| SCHEMBL14403356 | 0.74 | RAB9A (0.46) | NPC1RAB9AALDH1A1CA12CA1 |
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-9611230-B2 | 1,3,4-oxadiazole benzoic acid compounds and their use for nonsense suppression and the treatment of disease | PTC THERAPEUTICS, INC. (US) | 2017-04-04 | — | — | US | disclosed |