Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | RORC | P51449 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | 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 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL498942 | 0.78 | HTR2C (0.38) | ATMRORCMEN1KMT2AALDH1A1 | |
| SCHEMBL4412655 | 0.76 | MGLL (0.31) | RENCYP3A4 | |
| SCHEMBL2326418 | 0.76 | MGLL (0.31) | RENCYP3A4 | |
| SCHEMBL2323495 | 0.76 | MGLL (0.31) | RENCYP3A4 | |
| SCHEMBL10253754 | 0.74 | CYP1A2 (0.48) | ATMALDH1A1LMNARENCYP3A4 | |
| SCHEMBL10069363 | 0.71 | KMT2A (0.47) | ATMMEN1KMT2AOPRD1OPRK1 | |
| SCHEMBL8209085 | 0.70 | REN (0.54) | RENCYP3A4 | |
| SCHEMBL3338659 | 0.69 | — | — | |
| SCHEMBL2330185 | 0.69 | REN (0.40) | MEN1KMT2ARENCYP3A4 | |
| SCHEMBL2360935 | 0.69 | REN (0.40) | MEN1KMT2ARENCYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| US-8106221-B2 | Renin inhibitors | VITAE PHARMACEUTICALS, INC. (US) | 2012-01-31 | — | — | US | disclosed |