Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 1/20 | 0.55 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | HTR3A | P46098 | 8/20 | 0.51 |
| ▸ | HTR3E | A5X5Y0 | 3/20 | 0.51 |
| ▸ | HTR3B | O95264 | 3/20 | 0.51 |
| ▸ | HTR3D | Q70Z44 | 3/20 | 0.51 |
| ▸ | HTR3C | Q8WXA8 | 3/20 | 0.51 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.47 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.47 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.47 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | SLC47A1 | Q96FL8 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2086084 | 0.84 | NPC1 (0.67) | GSK3BDYRK1AALDH1A1CYP3A4TSHR | |
| SCHEMBL7367635 | 0.82 | HTR3E (0.52) | CYP3A4HTR3AHTR3EHTR3BHTR3D | |
| Hydrochloric Acid SCHEMBL7306552 | 0.80 | HTR3A (0.64) | GSK3BDYRK1AALDH1A1CYP3A4TSHR | |
| Hydrochloric Acid SCHEMBL7306548 | 0.80 | HTR3A (0.64) | GSK3BDYRK1AALDH1A1CYP3A4TSHR | |
| SCHEMBL2086948 | 0.80 | NPC1 (0.68) | GSK3BDYRK1AALDH1A1CYP3A4TSHR | |
| SCHEMBL12441936 | 0.80 | NPC1 (0.68) | GSK3BDYRK1AALDH1A1CYP3A4TSHR | |
| SCHEMBL2087490 | 0.80 | NPC1 (0.68) | GSK3BDYRK1AALDH1A1CYP3A4TSHR | |
| Trifluoroacetic Acid SCHEMBL17163426 | 0.78 | NPC1 (0.60) | GSK3BDYRK1AALDH1A1CYP3A4TSHR | |
| Trifluoroacetic Acid SCHEMBL17163423 | 0.78 | NPC1 (0.60) | GSK3BDYRK1AALDH1A1CYP3A4TSHR | |
| SCHEMBL19236410 | 0.78 | NPC1 (0.62) | GSK3BDYRK1AALDH1A1CYP3A4TSHR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0422154-A1 | THERAPEUTIC USE OF 5-HT3 RECEPTOR ANTAGONISTS. | SANDOZ AG (AT) | 1991-04-17 | — | — | EP | claimed |
| WO-1990012569-A1 | THERAPEUTIC USE OF 5-HT3 RECEPTOR ANTAGONISTS | SANDOZ AG (CH) | 1990-11-01 | — | — | WO | claimed |
| EP-0422154-A1 | THERAPEUTIC USE OF 5-HT3 RECEPTOR ANTAGONISTS. | SANDOZ AG (AT) | 1991-04-17 | — | — | EP | disclosed |
| WO-1990012569-A1 | THERAPEUTIC USE OF 5-HT3 RECEPTOR ANTAGONISTS | SANDOZ AG (CH) | 1990-11-01 | — | — | WO | disclosed |