Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 3/20 | 0.51 |
| ▸ | SLC18A3 | Q16572 | 8/20 | 0.50 |
| ▸ | AGTR2 | P50052 | 5/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL4878608 | 0.84 | HTRA1 (0.46) | GRIN2BSLC18A3AGTR2KDM4EALDH1A1 | |
| SCHEMBL4074855 | 0.84 | HTRA1 (0.46) | GRIN2BSLC18A3AGTR2KDM4EALDH1A1 | |
| SCHEMBL18744261 | 0.79 | AGTR2 (0.76) | AGTR2 | |
| SCHEMBL23123709 | 0.76 | SRD5A1 (0.50) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL4076825 | 0.75 | USP5 (0.51) | — | |
| SCHEMBL27786279 | 0.74 | SLC18A3 (0.55) | GRIN2BSLC18A3CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL2965273 | 0.72 | SLC18A3 (0.81) | GRIN2BSLC18A3CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL7477011 | 0.71 | SLC18A3 (0.59) | GRIN2BSLC18A3CYP2D6CYP2C19KDM4E | |
| SCHEMBL25993289 | 0.71 | SLC18A3 (0.64) | GRIN2BSLC18A3CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL1531725 | 0.69 | KCNH2 (0.59) | SLC18A3ALDH1A1SIGMAR1SMN1; 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 |
|---|---|---|---|---|---|---|---|
| CN-101534824-A | Aminopyrrolidines as chemokine receptor antagonists | ABBOTT LAB (US) | 2009-09-16 | — | — | CN | disclosed |