Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.34 |
| ▸ | FDPS | P14324 | 11/20 | 0.33 |
| ▸ | GGPS1 | O95749 | 6/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28887474 | 0.88 | TSHR (0.44) | TSHRFDPSGGPS1ALDH1A1SMPD1 | |
| SCHEMBL4623887 | 0.84 | TSHR (0.44) | TSHRFDPSGGPS1ALDH1A1SMPD1 | |
| SCHEMBL8993592 | 0.84 | TSHR (0.40) | TSHRFDPSGGPS1ALDH1A1 | |
| SCHEMBL9850922 | 0.83 | SMN1; SMN2 (0.36) | TSHRFDPSGGPS1ALDH1A1 | |
| SCHEMBL11785952 | 0.81 | TSHR (0.37) | TSHRFDPSGGPS1ALDH1A1SMPD1 | |
| SCHEMBL11055615 | 0.80 | TSHR (0.40) | TSHRFDPSGGPS1ALDH1A1 | |
| SCHEMBL9985817 | 0.80 | — | — | |
| SCHEMBL9379966 | 0.75 | TSHR (0.35) | TSHRFDPSALDH1A1 | |
| SCHEMBL8771120 | 0.75 | HSPD1 (0.37) | TSHRALDH1A1 | |
| SCHEMBL21625685 | 0.74 | TSHR (0.41) | TSHRFDPSGGPS1ALDH1A1SMPD1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0428286-B1 | 24- and 25-substituted avermectin and milbemycin derivatives | MERCK & CO INC (US) | 2000-04-05 | — | — | EP | disclosed |
| US-5830875-A | PARASITICIDES | MERCK & CO., INC. (US) | 1998-11-03 | — | — | US | disclosed |
| US-5208222-A | Anthelemetic | MERCK & CO., INC. (US) | 1993-05-04 | — | — | US | disclosed |
| EP-0506331-A1 | 4\"-and 4'-alkylthio-avermectin derivatives | MERCK & CO. INC. (US) | 1992-09-30 | — | — | EP | disclosed |
| EP-0428286-A2 | 24- and 25-substituted avermectin and milbemycin derivatives | MERCK & CO. INC. (US) | 1991-05-22 | — | — | EP | disclosed |