Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHODH | Q02127 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.39 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.39 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.39 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.39 |
| ▸ | GRM5 | P41594 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | NEK1 | Q96PY6 | 1/20 | 0.36 |
| ▸ | AXL | P30530 | 1/20 | 0.36 |
| ▸ | ERN1 | O75460 | 1/20 | 0.36 |
| ▸ | IL2 | P60568 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | TDO2 | P48775 | 1/20 | 0.35 |
| ▸ | GPR84 | Q9NQS5 | 2/20 | 0.35 |
| ▸ | ACLY | P53396 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3760933 | 0.79 | NPC1 (0.62) | DHODHNPC1RAB9AALDH1A1NPSR1 | |
| SCHEMBL3455957 | 0.73 | NPC1 (0.50) | DHODHNPC1RAB9AALDH1A1NPSR1 | |
| SCHEMBL3468631 | 0.72 | MAPT (0.50) | NPC1RAB9AALDH1A1NPSR1KMT2A | |
| SCHEMBL3456402 | 0.69 | NPC1 (0.48) | NPC1RAB9AALDH1A1NPSR1 | |
| SCHEMBL13765570 | 0.66 | MEN1 (0.47) | ALDH1A1NPSR1KMT2AMEN1 | |
| SCHEMBL3753122 | 0.64 | ALDH1A1 (0.56) | ALDH1A1NPSR1KDM4ESMN1; SMN2 | |
| SCHEMBL7824107 | 0.64 | RAB9A (0.68) | NPC1RAB9AALDH1A1GABRG2GABRB3 | |
| SCHEMBL1221576 | 0.63 | TSHR (0.67) | RAB9AGABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL29410906 | 0.63 | TSHR (0.67) | RAB9AGABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL20162908 | 0.62 | GAA (0.51) | ALDH1A1NPSR1KMT2AMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2250165-B1 | TRIAZOLE OXADIAZOLES DERIVATIVES | MERCK SERONO SA (CH) | 2018-07-25 | — | — | EP | disclosed |