Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 5/20 | 0.59 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | TBXA2R | P21731 | 2/20 | 0.39 |
| ▸ | KDM1A | O60341 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | LIPE | Q05469 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7828983 | 0.82 | CCR5 (0.63) | CCR5SLC6A9ALDH1A1RAB9AKMT2A | |
| SCHEMBL8602312 | 0.76 | SLC6A3 (0.48) | — | |
| SCHEMBL8602315 | 0.76 | SLC6A3 (0.48) | — | |
| SCHEMBL7314835 | 0.76 | SLC6A3 (0.48) | — | |
| SCHEMBL7314846 | 0.76 | SLC6A3 (0.48) | — | |
| SCHEMBL7421806 | 0.76 | SLC6A3 (0.48) | — | |
| SCHEMBL7836739 | 0.74 | CCR5 (1.00) | CCR5 | |
| SCHEMBL13922018 | 0.73 | ALDH1A1 (0.58) | ALDH1A1KMT2APKMPOLBL3MBTL1 | |
| SCHEMBL7878988 | 0.72 | CCR5 (0.47) | CCR5ALDH1A1KDM1APOLB | |
| SCHEMBL7885008 | 0.72 | CYP3A4 (0.41) | CCR5PKM |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1009405-A4 | PYRROLIDINE AND PIPERIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO INC (US) | 2001-05-09 | — | — | EP | disclosed |
| US-6166037-A | Pyrrolidine and piperidine modulators of chemokine receptor activity | MERCK & CO., INC. (US) | 2000-12-26 | — | — | US | disclosed |
| EP-1009405-A1 | PYRROLIDINE AND PIPERIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | Merck & Co., Inc. (US) | 2000-06-21 | — | — | EP | disclosed |
| WO-1999009984-A1 | PYRROLIDINE AND PIPERIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 1999-03-04 | — | — | WO | disclosed |