Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.61 |
| ▸ | NAAA | Q02083 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 3/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | IDO1 | P14902 | 1/20 | 0.44 |
| ▸ | LTA4H | P09960 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.43 |
| ▸ | AGXT | P21549 | 1/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.43 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.43 |
| ▸ | PDE4A | P27815 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL98298 | 0.88 | TSHR (0.70) | TSHRKDM4EPOLBCA1CA2 | |
| SCHEMBL1991359 | 0.88 | TSHR (0.78) | TSHRNAAAKDM4EPOLBCA1 | |
| SCHEMBL3701483 | 0.85 | TSHR (0.74) | TSHRNAAAKDM4EPOLBCA1 | |
| SCHEMBL27710140 | 0.85 | TSHR (0.74) | TSHRNAAAKDM4EPOLBCA1 | |
| SCHEMBL4608747 | 0.85 | TSHR (0.74) | TSHRNAAAKDM4EPOLBCA1 | |
| SCHEMBL26189828 | 0.85 | TSHR (0.74) | TSHRNAAAKDM4EPOLBCA1 | |
| SCHEMBL9505432 | 0.85 | TSHR (0.74) | TSHRNAAAKDM4EPOLBCA1 | |
| SCHEMBL10895400 | 0.85 | TSHR (0.74) | TSHRNAAAKDM4EPOLBCA1 | |
| SCHEMBL607716 | 0.84 | TSHR (0.58) | TSHRNAAAKDM4EPOLBCA1 | |
| SCHEMBL24748 | 0.84 | TSHR (0.58) | TSHRNAAAKDM4EPOLBCA1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0193347-B1 | 13-SUBSTITUTED DERIVATIVES OF AVERMECTIN AGLYCONES | MERCK & CO. INC. (US) | 1990-08-29 | — | — | EP | disclosed |
| EP-0193347-A2 | 13-Substituted derivatives of avermectin aglycones | MERCK & CO. INC. (US) | 1986-09-03 | — | — | EP | disclosed |
| US-4587247-A | ANTHELMINTIC, PARASITICIDES | MERCK & CO., INC. (US) | 1986-05-06 | — | — | US | disclosed |