Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | TNKS | O95271 | 1/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.42 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.42 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.42 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.42 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.41 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.41 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3645896 | 1.00 | MAOB (0.45) | MAOBALDH1A1SMN1; SMN2HDAC3TNKS | |
| SCHEMBL2059374 | 0.87 | HCAR2 (0.50) | ALDH1A1SMN1; SMN2HDAC3TNKSHDAC4 | |
| SCHEMBL2059378 | 0.87 | HCAR2 (0.50) | ALDH1A1SMN1; SMN2HDAC3TNKSHDAC4 | |
| SCHEMBL31071896 | 0.80 | MAOB (0.58) | MAOBALDH1A1SMN1; SMN2HDAC3TNKS | |
| SCHEMBL11834874 | 0.80 | CA1 (0.52) | MAOBALDH1A1SMN1; SMN2HDAC3TNKS | |
| SCHEMBL21224294 | 0.80 | MAOB (0.58) | MAOBALDH1A1SMN1; SMN2HDAC3TNKS | |
| SCHEMBL556497 | 0.79 | CA12 (0.49) | MAOBALDH1A1CA1CA2LMNA | |
| SCHEMBL23778879 | 0.79 | MAOB (0.61) | MAOBALDH1A1SMN1; SMN2HDAC3TNKS | |
| SCHEMBL10547528 | 0.79 | ALDH1A1 (0.53) | ALDH1A1SMN1; SMN2AKR1C3AKR1C2EIF2AK2 | |
| SCHEMBL10547524 | 0.79 | ALDH1A1 (0.53) | ALDH1A1SMN1; SMN2AKR1C3AKR1C2EIF2AK2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2190811-B1 | RENIN INHIBITORS | MERCK CANADA INC (CA) | 2013-08-07 | — | — | EP | disclosed |
| US-8334308-B2 | Renin inhibitors | MERCK SHARP & DOHME CORP. (US) | 2012-12-18 | — | — | US | disclosed |
| EP-2190811-A1 | RENIN INHIBITORS | Merck Frosst Canada Ltd. (CA) | 2010-06-02 | — | — | EP | disclosed |
| WO-2009023964-A1 | RENIN INHIBITORS | MERCK FROSST CANADA LTD. (CA) | 2009-02-26 | — | — | WO | disclosed |