Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 9/20 | 0.47 |
| ▸ | NPC1 | O15118 | 8/20 | 0.47 |
| ▸ | APP | P05067 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.45 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | PPARA | Q07869 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | ILK | Q13418 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9320873 | 0.84 | RAB9A (0.49) | RAB9ANPC1APPMAPTALDH1A1 | |
| SCHEMBL31003075 | 0.82 | RAB9A (0.63) | RAB9ANPC1APPMAPTALDH1A1 | |
| SCHEMBL29184144 | 0.82 | RAB9A (0.47) | RAB9ANPC1APPMAPTALDH1A1 | |
| SCHEMBL20509831 | 0.82 | UBE2T (0.58) | RAB9ANPC1APPMAPTALDH1A1 | |
| SCHEMBL27038236 | 0.82 | RAB9A (0.50) | RAB9ANPC1APPMAPTALDH1A1 | |
| SCHEMBL6273815 | 0.82 | RAB9A (0.63) | RAB9ANPC1APPMAPTALDH1A1 | |
| SCHEMBL489018 | 0.79 | RAB9A (0.47) | RAB9ANPC1APPMAPTALDH1A1 | |
| SCHEMBL7222770 | 0.79 | GFER (0.56) | RAB9ANPC1APPMAPTALDH1A1 | |
| SCHEMBL28125037 | 0.79 | NPC1 (0.51) | RAB9ANPC1APPMAPTALDH1A1 | |
| SCHEMBL691871 | 0.78 | MAPT (0.49) | RAB9ANPC1APPMAPTALDH1A1 |
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-3458453-A1 | 6-(BUTA-1,3-DIYN-1-YL)BENZO[D]THIAZOLE DERIVATIVES | Idorsia Pharmaceuticals Ltd (CH) | 2019-03-27 | — | — | EP | disclosed |
| WO-2017198647-A1 | 6-(BUTA-1,3-DIYN-1-YL)BENZO[D]THIAZOLE DERIVATIVES | IDORSIA PHARMACEUTICALS LTD (CH) | 2017-11-23 | — | — | WO | disclosed |
| CN-104140415-B | Alpha, beta unsaturated ketone compounds containing benzo five-membered unsaturated heterocycle structures as well as preparation method and application of compounds | 中国医学科学院医药生物技术研究所 | 2017-02-15 | — | — | CN | disclosed |