Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 2/20 | 0.40 |
| ▸ | TDO2 | P48775 | 2/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.35 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.35 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.35 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.34 |
| ▸ | GABBR1 | Q9UBS5 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | DPP4 | P27487 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL22089180 | 0.91 | IDO1 (0.34) | IDO1TDO2HDAC3HDAC4HDAC1 | |
| SCHEMBL20495038 | 0.77 | IDO1 (0.43) | IDO1TDO2HDAC3HDAC4HDAC1 | |
| SCHEMBL13131486 | 0.77 | IDO1 (0.43) | IDO1TDO2HDAC3HDAC4HDAC1 | |
| SCHEMBL6498253 | 0.77 | IDO1 (0.43) | IDO1TDO2HDAC3HDAC4HDAC1 | |
| SCHEMBL13962959 | 0.77 | DPP4 (0.46) | DPP4TAAR1LMNA | |
| SCHEMBL14198484 | 0.77 | DPP4 (0.46) | DPP4TAAR1LMNA | |
| Hydrochloric Acid SCHEMBL3809942 | 0.76 | IDO1 (0.45) | IDO1TDO2HDAC3HDAC4HDAC1 | |
| SCHEMBL5726829 | 0.74 | HDAC3 (0.39) | IDO1TDO2HDAC3HDAC4HDAC1 | |
| SCHEMBL2553781 | 0.72 | IDO1 (0.41) | IDO1TDO2HDAC3HDAC4HDAC1 | |
| SCHEMBL3540663 | 0.72 | IDO1 (0.41) | IDO1TDO2HDAC3HDAC4HDAC1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2895482-B1 | HIV PROTEASE INHIBITORS | MERCK SHARP & DOHME (US) | 2016-10-19 | — | — | EP | disclosed |