Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR2 | P41597 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | ACLY | P53396 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.40 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.40 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.40 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.40 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.40 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.40 |
| ▸ | NOD2 | Q9HC29 | 4/20 | 0.40 |
| ▸ | NOD1 | Q9Y239 | 4/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | DAO | P14920 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3561901 | 0.76 | ACLY (0.46) | ACLYTSHRCA12CA2CA9 | |
| SCHEMBL6829943 | 0.75 | HTR6 (0.46) | ALDH1A1ACLYTSHRALOX5 | |
| SCHEMBL3563939 | 0.75 | ACLY (0.62) | ACLYCA12CA2CA9 | |
| SCHEMBL15657021 | 0.69 | MCL1 (0.70) | ALDH1A1MAPTTSHRDAOMCL1 | |
| SCHEMBL29945775 | 0.69 | MCL1 (0.70) | ALDH1A1MAPTTSHRDAOMCL1 | |
| SCHEMBL14399008 | 0.69 | CCR2 (0.55) | CCR2ALDH1A1LMNAMAPTACLY | |
| SCHEMBL4121234 | 0.68 | CCR2 (0.72) | CCR2ALDH1A1LMNAMAPTHDAC3 | |
| SCHEMBL6864420 | 0.68 | ALDH1A1 (0.73) | CCR2ALDH1A1LMNAMAPTHDAC3 | |
| SCHEMBL31599460 | 0.68 | CCR2 (0.72) | CCR2ALDH1A1LMNAMAPTHDAC3 | |
| Hydrochloric Acid SCHEMBL4119324 | 0.67 | CCR2 (0.71) | CCR2ALDH1A1LMNAMAPTHDAC3 |
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-1990335-A1 | 17 BETA HSD TYPE 5 INHIBITOR | Astellas Pharma Inc. (JP) | 2008-11-12 | — | — | EP | disclosed |