Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 4/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | ABL1 | P00519 | 1/20 | 0.34 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8033100 | 0.95 | HPGD (0.43) | HPGDSMN1; SMN2MAPTNPC1HTT | |
| SCHEMBL7500112 | 0.85 | HPGD (0.45) | HPGDSMN1; SMN2MAPTNPC1HTT | |
| SCHEMBL6461610 | 0.81 | HPGD (0.47) | HPGDSMN1; SMN2MAPTNPC1HTT | |
| SCHEMBL4714585 | 0.80 | HPGD (0.46) | HPGDSMN1; SMN2MAPTNPC1HTT | |
| SCHEMBL8908678 | 0.80 | HPGD (0.46) | HPGDSMN1; SMN2MAPTNPC1HTT | |
| SCHEMBL4716609 | 0.78 | HPGD (0.44) | HPGDSMN1; SMN2MAPTNPC1HTT | |
| SCHEMBL5199652 | 0.78 | HPGD (0.50) | HPGDSMN1; SMN2MAPTNPC1HTT | |
| SCHEMBL879545 | 0.78 | HPGD (0.50) | HPGDSMN1; SMN2MAPTNPC1HTT | |
| SCHEMBL7496343 | 0.76 | HPGD (0.43) | HPGDSMN1; SMN2MAPTNPC1HTT | |
| SCHEMBL16662469 | 0.76 | HPGD (0.50) | HPGDSMN1; SMN2MAPTNPC1HTT |
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-1192133-A1 | N-CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | Merck & Co., Inc. (US) | 2002-04-03 | — | — | EP | disclosed |
| WO-2000076972-A1 | N-CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 2000-12-21 | — | — | WO | disclosed |
| WO-2000076514-A1 | CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 2000-12-21 | — | — | WO | disclosed |
| WO-2000059498-A1 | PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 2000-10-12 | — | — | WO | disclosed |