Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 2/20 | 0.46 |
| ▸ | CXCR4 | P61073 | 3/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | HTR2B | P41595 | 1/20 | 0.41 |
| ▸ | BCHE | P06276 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | TACR1 | P25103 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | BRD4 | O60885 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7170826 | 0.89 | CXCR4 (0.40) | GRIN2BCXCR4CYP2C19CYP3A4KDM4E | |
| SCHEMBL7171997 | 0.87 | CXCR4 (0.40) | CXCR4CYP3A4ALDH1A1KDM4E | |
| SCHEMBL7162414 | 0.87 | DPP4 (0.41) | TACR1ALDH1A1KDM4E | |
| SCHEMBL7165958 | 0.81 | AGTR2 (0.41) | CYP3A4 | |
| SCHEMBL7168130 | 0.81 | KMT2A (0.38) | CXCR4SMN1; SMN2CYP2C19CYP3A4ALDH1A1 | |
| SCHEMBL7166169 | 0.80 | CXCR4 (0.43) | GRIN2BCXCR4BCHEALDH1A1BRD4 | |
| SCHEMBL7169997 | 0.80 | SMN1; SMN2 (0.37) | GRIN2BSMN1; SMN2BCHEACHETACR1 | |
| SCHEMBL6326567 | 0.75 | NR1H2 (0.40) | CYP3A4ALDH1A1KDM4ETSHR | |
| SCHEMBL7164726 | 0.74 | TSHR (0.35) | CYP3A4ALDH1A1KDM4ETSHR | |
| SCHEMBL7164243 | 0.74 | PLG (0.35) | CYP3A4ALDH1A1KDM4ETSHR |
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-2003082856-A1 | ISOQUINOLINE-3-CARBOXYLIC ACID DERIVATIVES AS EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS | ELI LILLY AND COMPANY (US) | 2003-10-09 | — | — | WO | disclosed |