Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.47 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | USP2 | O75604 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | GFER | P55789 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL3929082 | 0.86 | NPSR1 (0.67) | NPSR1ALDH1A1TSHRUSP2HPGD | |
| SCHEMBL3938427 | 0.84 | CCR5 (0.53) | NPSR1ALDH1A1PKMERCC1ERCC4 | |
| SCHEMBL15651018 | 0.83 | ALDH1A1 (0.60) | NPSR1ALDH1A1ERCC1ERCC4USP2 | |
| SCHEMBL4600028 | 0.79 | HDAC6 (0.67) | ALDH1A1ERCC1ERCC4USP2HPGD | |
| SCHEMBL7486412 | 0.78 | ALDH1A1 (0.58) | ALDH1A1 | |
| SCHEMBL13960765 | 0.78 | MAPT (0.58) | ALDH1A1PKMHPGDMAPT | |
| Hydrochloric Acid SCHEMBL3940443 | 0.74 | NPSR1 (0.64) | NPSR1ALDH1A1TSHRUSP2HPGD | |
| SCHEMBL13961446 | 0.73 | CCR5 (0.54) | NPSR1ALDH1A1PKMERCC1ERCC4 | |
| SCHEMBL8372164 | 0.72 | MEN1 (0.61) | NPSR1ALDH1A1TSHRUSP2HPGD | |
| SCHEMBL12993901 | 0.72 | ALDH1A1 (0.67) | ALDH1A1PKMTSHRUSP2CYP3A4 |
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-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 |