Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP12 | P39900 | 1/20 | 0.46 |
| ▸ | MMP13 | P45452 | 1/20 | 0.46 |
| ▸ | AAK1 | Q2M2I8 | 4/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | GPR88 | Q9GZN0 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | CTSL | P07711 | 3/20 | 0.38 |
| ▸ | CTSB | P07858 | 3/20 | 0.38 |
| ▸ | CTSS | P25774 | 3/20 | 0.38 |
| ▸ | CTSK | P43235 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.37 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7420384 | 1.00 | MMP12 (0.46) | MMP12MMP13AAK1TSHRGPR88 | |
| SCHEMBL7424092 | 0.88 | PSMB5 (0.49) | MMP12GPR88CTSLCTSSCTSK | |
| SCHEMBL7425766 | 0.88 | PSMB5 (0.49) | MMP12GPR88CTSLCTSSCTSK | |
| SCHEMBL7424796 | 0.88 | HPGD (0.38) | GPR88MCHR1 | |
| SCHEMBL7425601 | 0.87 | MCHR1 (0.50) | GPR88CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7418362 | 0.86 | PSEN1 (0.51) | MMP13 | |
| SCHEMBL7426589 | 0.85 | MAOB (0.51) | MMP13CTSLCTSSCTSK | |
| SCHEMBL7421865 | 0.85 | MAOB (0.51) | MMP13CTSLCTSSCTSK | |
| SCHEMBL7419478 | 0.84 | MMP2 (0.42) | MCHR1 | |
| SCHEMBL7424015 | 0.84 | GPR88 (0.42) | GPR88HDAC1CTSLCTSBCTSS |
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 |
|---|---|---|---|---|---|---|---|
| WO-2002039997-A2 | ACE-2 MODULATING COMPOUNDS AND USE THEREOF | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2002-05-23 | — | — | WO | disclosed |