Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | S1PR2 | O95136 | 5/20 | 0.31 |
| ▸ | S1PR4 | O95977 | 5/20 | 0.31 |
| ▸ | S1PR1 | P21453 | 5/20 | 0.31 |
| ▸ | S1PR3 | Q99500 | 5/20 | 0.31 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.31 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.30 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.30 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.30 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.30 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.30 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.30 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL16587579 | 0.93 | TSHR (0.44) | TSHRALDH1A1PAOXCYP2C19MEN1 | |
| SCHEMBL21352282 | 0.88 | CA12 (0.32) | TSHRALDH1A1CYP2C19MEN1GLA | |
| SCHEMBL16299793 | 0.87 | TSHR (0.48) | TSHRALDH1A1PAOXCYP2C19MEN1 | |
| SCHEMBL16587606 | 0.86 | — | — | |
| SCHEMBL14271000 | 0.84 | TSHR (0.50) | TSHRALDH1A1CYP2C19MEN1GLA | |
| SCHEMBL16508308 | 0.84 | — | — | |
| SCHEMBL19872804 | 0.83 | — | — | |
| SCHEMBL29794982 | 0.80 | S1PR2 (0.31) | S1PR2S1PR4S1PR1S1PR3S1PR5 | |
| SCHEMBL16674715 | 0.78 | TSHR (0.54) | TSHRALDH1A1CYP2C19CYP1A2S1PR2 | |
| SCHEMBL22956932 | 0.77 | CYP2C19 (0.50) | TSHRALDH1A1CYP2C19MEN1GLA |
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-2022112855-A1 | LIPID COMPOUND AND THE COMPOSITION THEREOF | Guangzhou Ribobio Co., Ltd (CN) | 2022-06-02 | — | — | WO | disclosed |
| US-8987514-B2 | Compositions and methods for labeling and imaging phospholipids | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2015-03-24 | — | — | US | disclosed |