Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 5/20 | 0.56 |
| ▸ | CNR2 | P34972 | 1/20 | 0.50 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.49 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 3/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | INSR | P06213 | 1/20 | 0.42 |
| ▸ | ITK | Q08881 | 1/20 | 0.42 |
| ▸ | FASN | P49327 | 1/20 | 0.42 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5086341 | 0.95 | CNR2 (0.56) | PDK2CNR2HSD17B1HSD17B2GAA | |
| SCHEMBL3916812 | 0.93 | PDK2 (0.59) | PDK2CNR2HSD17B1HSD17B2FASN | |
| SCHEMBL11938472 | 0.85 | PKM (0.47) | PDK2CNR2RAB9AITKFASN | |
| Hydrochloric Acid SCHEMBL19520341 | 0.84 | PDK2 (0.52) | PDK2CNR2HSD17B1HSD17B2KMT2A | |
| SCHEMBL22624637 | 0.84 | PDK2 (0.62) | PDK2HSD17B1HSD17B2POLB | |
| SCHEMBL19520529 | 0.82 | PDK2 (0.66) | PDK2HSD17B1HSD17B2SMN1; SMN2KMT2A | |
| SCHEMBL6422688 | 0.79 | CNR2 (0.47) | PDK2CNR2GAAHPGDSMN1; SMN2 | |
| SCHEMBL1749860 | 0.78 | SRD5A2 (0.50) | PDK2ITKFASNPOLBKMT2A | |
| SCHEMBL5085953 | 0.78 | MLNR (0.49) | PDK2CNR2RAB9AFASNNPC1 | |
| SCHEMBL8819827 | 0.77 | PKM (0.59) | HPGDSMN1; SMN2RAB9AFASNPOLB |
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 |
|---|---|---|---|---|---|---|---|
| EP-1532122-A1 | 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES, OBESITY AND DYSLIPIDEMIA | Merck & Co., Inc. (US) | 2005-05-25 | — | — | EP | disclosed |
| WO-2003104208-A1 | 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES, OBESITY AND DYSLIPIDEMIA | MERCK & CO., INC. (US) | 2003-12-18 | — | — | WO | disclosed |