Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AGXT | P21549 | 4/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | MGLL | Q99685 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 3/20 | 0.39 |
| ▸ | NAAA | Q02083 | 2/20 | 0.38 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.38 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.38 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.38 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.38 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 3/20 | 0.37 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.36 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.36 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.36 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.36 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.36 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.36 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Benzene SCHEMBL28561739 | 0.88 | TSHR (0.52) | AGXTTSHRIDO1MAOB | |
| SCHEMBL1122448 | 0.88 | TSHR (0.52) | AGXTTSHRIDO1MAOB | |
| SCHEMBL27851510 | 0.86 | AGXT (0.47) | AGXTTSHRIDO1NAAAMAOB | |
| SCHEMBL10505233 | 0.73 | LTA4H (0.52) | TSHRNAAAFFAR1 | |
| SCHEMBL5540731 | 0.72 | AGXT (0.59) | AGXTMGLLNAAAFFAR1NR4A2 | |
| SCHEMBL1573477 | 0.71 | TSHR (0.54) | AGXTTSHRIDO1NAAA | |
| SCHEMBL2798157 | 0.69 | TSHR (0.57) | AGXTTSHRIDO1MAOB | |
| SCHEMBL379281 | 0.68 | MAOB (0.67) | MAOBNR4A2MRGPRX4 | |
| Benzylamine SCHEMBL11416949 | 0.68 | LOXL2 (0.74) | AGXTTSHRMAOBENPP2 | |
| SCHEMBL29187621 | 0.68 | MAOA (0.54) | AGXTMGLLMAOB |
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 |
|---|---|---|---|---|---|---|---|
| CN-108178741-B | β-alkynes seleno alcohols organic compound synthetic method | 温州大学苍南研究院 | 2019-10-22 | — | — | CN | disclosed |
| CN-108178741-A | The synthetic method of β-alkynes seleno alcohols organic compound | 温州大学苍南研究院 | 2018-06-19 | — | — | CN | disclosed |