Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.34 |
| ▸ | NOS1 | P29475 | 1/20 | 0.34 |
| ▸ | NOS2 | P35228 | 1/20 | 0.34 |
| ▸ | GSR | P00390 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 3/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.31 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.31 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CRHBP | P24387 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL18525716 | 0.76 | NOS3 (0.39) | NOS3NOS1NOS2TSHRMAPT | |
| SCHEMBL18489378 | 0.74 | NOS3 (0.42) | NOS3NOS1NOS2TSHRKMT2A | |
| SCHEMBL18489341 | 0.74 | NOS3 (0.38) | NOS3NOS1NOS2TSHRKMT2A | |
| SCHEMBL23280272 | 0.71 | NOS3 (0.36) | NOS3NOS1NOS2TSHRMAPT | |
| SCHEMBL15980633 | 0.68 | NOS3 (0.39) | NOS3NOS1NOS2TSHRKMT2A | |
| SCHEMBL20063092 | 0.67 | NOS3 (0.42) | NOS3NOS1NOS2TSHRKMT2A | |
| SCHEMBL23287928 | 0.66 | ALDH1A1 (0.42) | NOS3NOS1NOS2GSRTSHR | |
| SCHEMBL4547885 | 0.66 | NOS2 (0.61) | NOS3NOS1NOS2TSHRKMT2A | |
| SCHEMBL18792891 | 0.66 | HMGCR (0.35) | NOS3NOS1NOS2 | |
| SCHEMBL20356746 | 0.66 | KDM5A (0.33) | NOS3NOS1NOS2 |
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-2017027343-A1 | CGRP RECEPTOR ANTAGONISTS | ELI LILLY AND COMPANY (US) | 2017-02-16 | — | — | WO | disclosed |