Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 5/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 3/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | KDM1A | O60341 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7828994 | 0.82 | CCR5 (0.59) | CCR5ALDH1A1RAB9AKMT2ASLC6A9 | |
| SCHEMBL7836739 | 0.78 | CCR5 (1.00) | CCR5 | |
| SCHEMBL2970095 | 0.75 | POLB (0.49) | ALDH1A1RAB9AKMT2ACYP2C9PKM | |
| SCHEMBL2970096 | 0.75 | POLB (0.49) | ALDH1A1RAB9AKMT2ACYP2C9PKM | |
| SCHEMBL2967842 | 0.75 | POLB (0.49) | ALDH1A1RAB9AKMT2ACYP2C9PKM | |
| SCHEMBL7835509 | 0.72 | CCR5 (0.87) | CCR5 | |
| SCHEMBL7817814 | 0.71 | CCR5 (0.85) | CCR5 | |
| SCHEMBL12207380 | 0.70 | CYP2C9 (0.57) | ALDH1A1RAB9AKMT2ACYP2C9PKM | |
| SCHEMBL9926048 | 0.70 | ALDH1A1 (0.53) | CCR5ALDH1A1RAB9AKMT2ACYP2C9 | |
| SCHEMBL13007126 | 0.69 | L3MBTL1 (0.61) | ALDH1A1RAB9AKMT2ACYP2C9PKM |
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 |