Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAMPT | P43490 | 3/20 | 0.70 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.60 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.60 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.60 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.58 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.55 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.55 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.52 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.52 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.52 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | PDE2A | O00408 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | PLK1 | P53350 | 1/20 | 0.45 |
| ▸ | KIT | P10721 | 3/20 | 0.45 |
| ▸ | ACSS2 | Q9NR19 | 1/20 | 0.45 |
| ▸ | PADI4 | Q9UM07 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL17896670 | 0.87 | NAMPT (0.67) | NAMPTHDAC6HDAC1HDAC8PTGER4 | |
| SCHEMBL10175112 | 0.86 | NAMPT (0.64) | NAMPTHDAC6HDAC1HDAC8PTGER4 | |
| SCHEMBL17896668 | 0.84 | NAMPT (0.61) | NAMPTHDAC6HDAC1HDAC8PTGER4 | |
| SCHEMBL10175103 | 0.79 | NAMPT (0.61) | NAMPTCYP11B1CYP11B2ATMKIT | |
| SCHEMBL21975920 | 0.77 | HDAC6 (0.95) | NAMPTHDAC6HDAC1HDAC8HDAC3 | |
| SCHEMBL10176218 | 0.76 | CYP11B2 (0.60) | NAMPTMKNK1MKNK2CYP11B1CYP11B2 | |
| SCHEMBL10175606 | 0.76 | CYP11B2 (0.60) | NAMPTCYP11B1CYP11B2ATMKIT | |
| SCHEMBL10176167 | 0.76 | CYP11B2 (0.80) | NAMPTCYP11B1CYP11B2ATMKIT | |
| SCHEMBL4241393 | 0.76 | CYP11B2 (0.56) | NAMPTCYP11B1CYP11B2ATMKIT | |
| SCHEMBL17883781 | 0.76 | PTGS2 (0.57) | NAMPTCYP11B1CYP11B2ATMKIT |
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 |
|---|---|---|---|---|---|---|---|
| US-9382226-B2 | Aldosterone synthase inhibitors | MERCK SHARP & DOHME CORP. (US) | 2016-07-05 | — | — | US | disclosed |
| US-9382226-B2 | Aldosterone synthase inhibitors | MERCK SHARP & DOHME CORP. (US) | 2016-07-05 | — | — | US | disclosed |
| WO-2012012478-A1 | ALDOSTERONE SYNTHASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2012-01-26 | — | — | WO | disclosed |