Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.36 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.36 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | AOC2 | O75106 | 1/20 | 0.33 |
| ▸ | DGKA | P23743 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL26756098 | 1.00 | TSHR (0.38) | TSHRCA2ABCB11CYP3A4ADRA2B | |
| SCHEMBL20801668 | 1.00 | TSHR (0.38) | TSHRCA2ABCB11CYP3A4ADRA2B | |
| SCHEMBL2593332 | 1.00 | TSHR (0.38) | TSHRCA2ABCB11CYP3A4ADRA2B | |
| Hydrochloric Acid SCHEMBL28078980 | 0.98 | TSHR (0.37) | TSHRCA2ABCB11CYP3A4ADRA2B | |
| SCHEMBL2883395 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL28885388 | 0.91 | TSHR (0.41) | TSHRCA2ALDH1A1HTR2CDGKA | |
| SCHEMBL22689123 | 0.89 | TSHR (0.42) | TSHRALDH1A1TP53HIF1AHSD17B10 | |
| SCHEMBL12275693 | 0.89 | TSHR (0.42) | TSHRALDH1A1TP53HIF1AHSD17B10 | |
| SCHEMBL5356898 | 0.83 | HTR2C (0.56) | TSHRCA2ABCB11CYP3A4ADRA2B | |
| SCHEMBL23049673 | 0.83 | ALDH1A1 (0.56) | TSHRALDH1A1TP53HIF1AHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023216533-A1 | INDOLE ALKALOID, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 南京中医药大学 | 2023-11-16 | — | — | WO | disclosed |
| US-7582625-B2 | Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-09-01 | — | — | US | disclosed |