Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR3C2 | P08235 | 9/20 | 0.38 |
| ▸ | AURKA | O14965 | 1/20 | 0.36 |
| ▸ | DAGLA | Q9Y4D2 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | CCR1 | P32246 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.34 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.34 |
| ▸ | BDKRB2 | P30411 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3126594 | 0.93 | ALDH1A1 (0.41) | NR3C2AURKACCR1KCNH2ALDH1A1 | |
| SCHEMBL4302917 | 0.87 | NR3C2 (0.38) | NR3C2AURKANPC1RAB9ASMN1; SMN2 | |
| SCHEMBL4311884 | 0.85 | NR3C2 (0.39) | NR3C2AURKANPC1RAB9ASMN1; SMN2 | |
| SCHEMBL3126015 | 0.83 | GABRP (0.42) | NR3C2CCR1KCNH2ALDH1A1LMNA | |
| Hydrochloric Acid SCHEMBL2170595 | 0.82 | HRH1 (0.39) | CCR1KCNH2TLR8BDKRB2 | |
| SCHEMBL2169564 | 0.79 | POLB (0.40) | NPC1RAB9ASMN1; SMN2CCR1KCNH2 | |
| SCHEMBL3126239 | 0.79 | ALDH1A1 (0.39) | NR3C2AURKAALDH1A1LMNA | |
| Hydrochloric Acid SCHEMBL2170122 | 0.78 | LOXL2 (0.41) | SMN1; SMN2ALDH1A1LMNAMTNR1A | |
| SCHEMBL3129950 | 0.78 | ALDH1A1 (0.41) | DAGLANPC1RAB9ASMN1; SMN2CCR1 | |
| SCHEMBL2644514 | 0.76 | LOXL2 (0.49) | CCR1KCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2655371-A1 | PYRAZOLOPIPERIDINE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS | Boehringer Ingelheim International GmbH (DE) | 2013-10-30 | — | — | EP | disclosed |
| WO-2012087782-A1 | PYRAZOLOPIPERIDINE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-06-28 | — | — | WO | disclosed |