Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 4/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 9/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | PYGL | P06737 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.34 |
| ▸ | HTR2A | P28223 | 2/20 | 0.34 |
| ▸ | HTR2C | P28335 | 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 | |
|---|---|---|---|---|
| SCHEMBL499262 | 0.91 | NOS2 (0.41) | NOS2SLC6A4ALDH1A1LMNAKDM4E | |
| SCHEMBL8080309 | 0.91 | NOS2 (0.41) | NOS2SLC6A4ALDH1A1LMNAKDM4E | |
| SCHEMBL4754002 | 0.81 | SLC6A4 (0.56) | NOS2SLC6A4CYP2D6SLC6A2KCNH2 | |
| SCHEMBL4756782 | 0.78 | IDO1 (0.37) | NOS2ALDH1A1LMNAKDM4ESMN1; SMN2 | |
| SCHEMBL4755995 | 0.76 | PYGL (0.38) | CYP2D6ALDH1A1LMNAKDM4ESMN1; SMN2 | |
| SCHEMBL3335914 | 0.73 | REN (0.45) | CYP3A4 | |
| SCHEMBL3335773 | 0.73 | REN (0.45) | CYP3A4 | |
| SCHEMBL499588 | 0.71 | IDO1 (0.39) | ALDH1A1LMNAKDM4ESMN1; SMN2NPSR1 | |
| SCHEMBL498922 | 0.71 | SLC6A4 (0.52) | NOS2SLC6A4SLC6A2LMNASMN1; SMN2 | |
| SCHEMBL4757403 | 0.71 | MAPT (0.42) | CYP2D6ALDH1A1LMNAKDM4ESMN1; SMN2 |
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-2008156816-A2 | RENIN INHIBITORS | VITAE PHARMACEUTICALS, INC. (US) | 2008-12-24 | — | — | WO | disclosed |