Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | 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 | 9/20 | 0.50 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.50 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.50 |
| ▸ | HTR3B | O95264 | 1/20 | 0.50 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.50 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.50 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.50 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.50 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.50 |
| ▸ | SLC47A1 | Q96FL8 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | RBP4 | P02753 | 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 | |
|---|---|---|---|---|
| SCHEMBL7428799 | 0.78 | ALDH1A1 (0.83) | ALDH1A1CYP3A4TSHRMAPK1HSD17B10 | |
| SCHEMBL7439648 | 0.78 | ALDH1A1 (0.83) | ALDH1A1CYP3A4TSHRMAPK1HSD17B10 | |
| SCHEMBL7436275 | 0.78 | HTR3A (0.60) | ALDH1A1CYP3A4TSHRMAPK1HSD17B10 | |
| SCHEMBL7428794 | 0.78 | ALDH1A1 (0.83) | ALDH1A1CYP3A4TSHRMAPK1HSD17B10 | |
| SCHEMBL7436272 | 0.78 | HTR3A (0.60) | ALDH1A1CYP3A4TSHRMAPK1HSD17B10 | |
| SCHEMBL23940247 | 0.74 | KDM4E (0.57) | ALDH1A1CYP3A4TSHRMAPK1HSD17B10 | |
| SCHEMBL27249478 | 0.73 | ALDH1A1 (0.55) | ALDH1A1CYP3A4TSHRMAPK1HSD17B10 | |
| SCHEMBL8395556 | 0.72 | HTR3A (0.58) | ALDH1A1CYP3A4TSHRMAPK1HSD17B10 | |
| Hydrochloric Acid SCHEMBL8400765 | 0.72 | HTR3A (0.57) | ALDH1A1CYP3A4TSHRMAPK1HSD17B10 | |
| SCHEMBL2087087 | 0.71 | DYRK1A (0.48) | ALDH1A1CYP3A4TSHRHSD17B10HTR3A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5344831-A | Antiemetics for treatment of nausea from chemotherapy | NISSHIN FLOUR MILLING CO., LTD. (JP) | 1994-09-06 | — | — | US | disclosed |
| EP-0558923-A1 | Diazabicyclo derivatives as 5-HT3 antagonists | NISSHIN FLOUR MILLING CO., LTD. (JP) | 1993-09-08 | — | — | EP | disclosed |