Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 3/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL3931201 | 0.91 | CCR5 (0.52) | CCR5PKMKMT2AALDH1A1POLB | |
| SCHEMBL3939743 | 0.83 | NPSR1 (0.60) | CCR5NPSR1ALDH1A1TSHR | |
| SCHEMBL3931205 | 0.82 | OPRM1 (0.40) | CCR5KMT2AALDH1A1 | |
| SCHEMBL13930630 | 0.79 | MAPT (0.49) | CCR5ALDH1A1CA1CA2CA9 | |
| SCHEMBL3931209 | 0.79 | CCR5 (0.42) | CCR5 | |
| SCHEMBL4260236 | 0.78 | MAPT (0.49) | CCR5ALDH1A1CA1CA2CA9 | |
| SCHEMBL3937550 | 0.78 | TSHR (0.54) | CCR5NPSR1KMT2AALDH1A1TSHR | |
| SCHEMBL3931941 | 0.73 | ALDH1A1 (0.55) | NPSR1KMT2AALDH1A1TSHRPOLB | |
| SCHEMBL13960889 | 0.72 | NPSR1 (0.56) | CCR5NPSR1ALDH1A1TSHR | |
| SCHEMBL13930632 | 0.70 | CA1 (0.48) | CCR5NPSR1CA1CA2CA9 |
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 |