Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.65 |
| ▸ | IDO1 | P14902 | 1/20 | 0.43 |
| ▸ | LTA4H | P09960 | 1/20 | 0.42 |
| ▸ | AGXT | P21549 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CA7 | P43166 | 2/20 | 0.40 |
| ▸ | CA9 | Q16790 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | DAO | P14920 | 1/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | BCHE | P06276 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | TACR1 | P25103 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Tetrahydrofuran SCHEMBL28823233 | 0.87 | TSHR (0.65) | TSHRIDO1LTA4HAGXTCA1 | |
| SCHEMBL8701176 | 0.85 | TSHR (0.62) | TSHRIDO1LTA4HAGXTCA1 | |
| Oxirane SCHEMBL3317346 | 0.84 | TSHR (0.75) | TSHRIDO1AGXTCA1CA2 | |
| Cyclohexane SCHEMBL8149682 | 0.84 | TSHR (0.83) | TSHRIDO1LTA4HAGXTCA1 | |
| Magnesium SCHEMBL2861424 | 0.83 | TSHR (0.94) | TSHRIDO1AGXTCA1CA2 | |
| Fluoride SCHEMBL27427280 | 0.83 | TSHR (0.94) | TSHRIDO1AGXTCA1CA2 | |
| Dioxane SCHEMBL8701185 | 0.82 | TSHR (0.71) | TSHRIDO1AGXTCA1CA2 | |
| Fluoride SCHEMBL11189438 | 0.81 | TSHR (0.88) | TSHRIDO1AGXTCA1CA2 | |
| SCHEMBL5311581 | 0.81 | TSHR (1.00) | TSHRIDO1AGXTCA1CA2 | |
| SCHEMBL27380 | 0.81 | TSHR (1.00) | TSHRIDO1AGXTCA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5827868-A | Prostaglandin analogs | E. R. SQUIBB & SONS, INC. (US) | 1998-10-27 | — | — | US | disclosed |
| EP-0536713-A1 | Oxazole and imidazole derivatives as prostaglandin analogs | E.R. SQUIBB & SONS, INC. (US) | 1993-04-14 | — | — | EP | disclosed |