Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 1/20 | 0.37 |
| ▸ | LTA4H | P09960 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | PDE2A | O00408 | 1/20 | 0.32 |
| ▸ | IDH1 | O75874 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8942473 | 0.77 | TSHR (0.40) | TSHR | |
| SCHEMBL8257734 | 0.77 | TSHR (0.40) | TSHR | |
| SCHEMBL7872545 | 0.73 | CHRM2 (0.37) | ADRB2 | |
| SCHEMBL8250970 | 0.73 | TSHR (0.40) | TSHR | |
| SCHEMBL6889968 | 0.73 | TSHR (0.40) | TSHR | |
| SCHEMBL23146020 | 0.73 | TSHR (0.40) | TSHR | |
| SCHEMBL27278539 | 0.73 | TSHR (0.40) | LTA4HTSHR | |
| SCHEMBL14335240 | 0.73 | TSHR (0.40) | TSHR | |
| SCHEMBL4724585 | 0.72 | SLC6A2 (0.44) | — | |
| SCHEMBL15274518 | 0.72 | RAB9A (0.38) | TSHR |
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-0819000-B1 | NODULISPORIC ACID DERIVATIVES | MERCK & CO INC (US) | 2009-07-08 | — | — | EP | disclosed |
| US-5962499-A | ACARICIDAL, ANTIPARASITIC, INSECTICIDAL AND ANTHELMINTIC AGENTS | MERCK & CO., INC. (US) | 1999-10-05 | — | — | US | disclosed |
| WO-1996029073-A1 | NODULISPORIC ACID DERIVATIVES | MERCK & CO., INC. (US) | 1996-09-26 | — | — | WO | disclosed |