Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 5/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | RORC | P51449 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | DPP4 | P27487 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | TACR2 | P21452 | 1/20 | 0.35 |
| ▸ | TACR1 | P25103 | 1/20 | 0.35 |
| ▸ | GBA1 | P04062 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3025622 | 0.85 | ALDH1A1 (0.43) | CCR5ALDH1A1RORCSIGMAR1CNR2 | |
| SCHEMBL28030186 | 0.85 | RORC (0.45) | CCR5RORCGRIN2BSIGMAR1CNR2 | |
| SCHEMBL3025319 | 0.83 | RORC (0.39) | CCR5RORCSIGMAR1CNR2 | |
| SCHEMBL3029997 | 0.83 | CCR5 (0.44) | CCR5RORCSIGMAR1CNR2DPP4 | |
| SCHEMBL3029620 | 0.81 | CCR5 (0.44) | CCR5RORCSIGMAR1CNR2DPP4 | |
| SCHEMBL3019414 | 0.81 | TACR1 (0.39) | CCR5RORCCNR2TACR2TACR1 | |
| SCHEMBL3030612 | 0.79 | CCR5 (0.46) | CCR5ALDH1A1RORCSIGMAR1DPP4 | |
| SCHEMBL3031882 | 0.79 | RORC (0.39) | CCR5MEN1KMT2ARORCCYP3A4 | |
| SCHEMBL3032339 | 0.79 | TACR1 (0.40) | CCR5RORCGRIN2BSIGMAR1TACR2 | |
| SCHEMBL3032336 | 0.79 | TACR1 (0.40) | CCR5RORCGRIN2BSIGMAR1TACR2 |
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-102307853-B | As the pyrrolidin derivatives of NK3 receptor antagonist | F. HOFFMANN-LA ROCHE AG (CH) | 2015-09-02 | — | — | CN | disclosed |