Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | ACE | P12821 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.35 |
| ▸ | MLNR | O43193 | 1/20 | 0.35 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CTSD | P07339 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.35 |
| ▸ | CNR1 | P21554 | 1/20 | 0.35 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
| ▸ | CTSL | P07711 | 1/20 | 0.35 |
| ▸ | CCR5 | P51681 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL499419 | 0.79 | SMN1; SMN2 (0.38) | MLNRABCB11LMNACTSDCYP3A4 | |
| SCHEMBL499681 | 0.79 | SMN1; SMN2 (0.38) | MLNRABCB11LMNACTSDCYP3A4 | |
| SCHEMBL1867178 | 0.76 | KLK5 (0.49) | ACEL3MBTL1KMT2AKLK5CTSL | |
| SCHEMBL1861665 | 0.72 | KLK5 (0.45) | ACEKMT2AKLK5CTSLATM | |
| SCHEMBL1861663 | 0.72 | KLK5 (0.45) | ACEKMT2AKLK5CTSLATM | |
| SCHEMBL8110118 | 0.72 | SYK (0.46) | KMT2AKLK5LMNACYP3A4CTSL | |
| SCHEMBL1859576 | 0.71 | KLK5 (0.45) | ACEKMT2AKLK5CTSLATM | |
| SCHEMBL1859578 | 0.71 | KLK5 (0.45) | ACEKMT2AKLK5CTSLATM | |
| SCHEMBL3002580 | 0.71 | CTSS (0.34) | HTR2CSLC6A4KMT2A | |
| SCHEMBL498942 | 0.71 | HTR2C (0.38) | HTR2CSLC6A4L3MBTL1KMT2ALMNA |
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 |