Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.57 |
| ▸ | USP2 | O75604 | 1/20 | 0.57 |
| ▸ | HPGD | P15428 | 1/20 | 0.57 |
| ▸ | CCR5 | P51681 | 1/20 | 0.55 |
| ▸ | HTR1A | P08908 | 1/20 | 0.53 |
| ▸ | HTR1B | P28222 | 1/20 | 0.53 |
| ▸ | HTR2A | P28223 | 1/20 | 0.53 |
| ▸ | HTR2C | P28335 | 1/20 | 0.53 |
| ▸ | HTR2B | P41595 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL13960889 | 0.87 | NPSR1 (0.56) | NPSR1ALDH1A1USP2HPGDCCR5 | |
| SCHEMBL3933493 | 0.83 | CCR5 (0.52) | NPSR1ALDH1A1USP2HPGDCCR5 | |
| SCHEMBL13930669 | 0.83 | NPC1 (0.57) | HTR1AGAA | |
| SCHEMBL3929082 | 0.83 | NPSR1 (0.67) | NPSR1ALDH1A1USP2HPGDHTR1A | |
| SCHEMBL3928869 | 0.83 | CCR5 (0.48) | NPSR1ALDH1A1CCR5TSHR | |
| SCHEMBL3931152 | 0.82 | LTA4H (0.50) | HTR2AGAA | |
| Hydrochloric Acid SCHEMBL3940443 | 0.81 | NPSR1 (0.64) | NPSR1ALDH1A1USP2HPGDHTR1A | |
| SCHEMBL3938078 | 0.79 | NPSR1 (0.61) | NPSR1ALDH1A1USP2HPGDHTR1A | |
| SCHEMBL13961091 | 0.79 | CCR5 (0.67) | NPSR1ALDH1A1USP2HPGDCCR5 | |
| SCHEMBL13746186 | 0.79 | NPSR1 (0.72) | NPSR1ALDH1A1USP2HPGDHTR1A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009010480-A1 | 1-{2-[(DIPHENYL)AMINO]-ETHYL}-PIPERIDINE-4-CARBOXYLIC ACID BENZYLAMIDE DERIVATIVES AND RELATED COMPOUNDS AS CCR5 AGONISTS FOR THE TREATMENT OF IMMUNE AND INFLAMMATORY DISEASES | EUROSCREEN S.A. (BE) | 2009-01-22 | — | — | WO | disclosed |
| WO-2009010480-A1 | 1-{2-[(DIPHENYL)AMINO]-ETHYL}-PIPERIDINE-4-CARBOXYLIC ACID BENZYLAMIDE DERIVATIVES AND RELATED COMPOUNDS AS CCR5 AGONISTS FOR THE TREATMENT OF IMMUNE AND INFLAMMATORY DISEASES | EUROSCREEN S.A. (BE) | 2009-01-22 | — | — | WO | disclosed |