Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.39 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.35 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.35 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3055865 | 0.81 | ALDH1A1 (0.45) | TSHRALDH1A1AKR1C3AKR1C1ALOX5 | |
| SCHEMBL4801412 | 0.80 | TSHR (0.47) | TSHRALDH1A1AKR1C3AKR1C1ALOX5 | |
| SCHEMBL7243238 | 0.75 | LMNA (0.42) | ALDH1A1LMNAHPGDGAAMEN1 | |
| SCHEMBL14267790 | 0.73 | MGLL (0.53) | TSHRALDH1A1TRPA1LMNARAB9A | |
| SCHEMBL6690642 | 0.73 | TSHR (0.47) | TSHRALDH1A1AKR1C3AKR1C1TRPA1 | |
| SCHEMBL237655 | 0.70 | TSHR (0.44) | TSHRALDH1A1AKR1C3AKR1C1TRPA1 | |
| SCHEMBL4801466 | 0.70 | TSHR (0.44) | TSHRALDH1A1AKR1C3AKR1C1ALOX5 | |
| SCHEMBL9493266 | 0.70 | TSHR (0.46) | TSHRALDH1A1AKR1C3AKR1C1TRPA1 | |
| SCHEMBL28515424 | 0.69 | TSHR (0.50) | TSHRALDH1A1AKR1C3AKR1C1TRPA1 | |
| Diphenamide SCHEMBL135233 | 0.68 | KDM4E (0.49) | TSHRALDH1A1ALOX5MEN1KMT2A |
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-0888278-A4 | ANTIDIABETIC AGENTS | MERCK & CO INC (US) | 1999-06-30 | — | — | EP | disclosed |
| EP-0888278-A1 | ANTIDIABETIC AGENTS | Merck & Co., Inc. (US) | 1999-01-07 | — | — | EP | disclosed |
| WO-1997028115-A1 | ANTIDIABETIC AGENTS | MERCK & CO., INC. (US) | 1997-08-07 | — | — | WO | disclosed |