Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.50 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CES1 | P23141 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | TNKS | O95271 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL564118 | 1.00 | AKR1C3 (0.50) | AKR1C3AKR1C1CYP2C9CYP3A4CES1 | |
| SCHEMBL7146881 | 1.00 | AKR1C3 (0.50) | AKR1C3AKR1C1CYP2C9CYP3A4CES1 | |
| Hydrochloric Acid SCHEMBL6510831 | 0.98 | AKR1C3 (0.48) | AKR1C3AKR1C1CYP2C9CYP3A4CES1 | |
| SCHEMBL563850 | 0.86 | AKR1C3 (0.48) | AKR1C3AKR1C1CYP2C9CYP3A4CES1 | |
| SCHEMBL6510379 | 0.84 | MCL1 (0.49) | AKR1C3AKR1C1CYP2C9CYP3A4CES1 | |
| SCHEMBL6510824 | 0.84 | CES1 (0.45) | AKR1C3AKR1C1CYP2C9CYP3A4CES1 | |
| SCHEMBL17813268 | 0.84 | AKR1C3 (0.52) | AKR1C3AKR1C1CES1HTTALDH1A1 | |
| SCHEMBL7564827 | 0.84 | MCL1 (0.49) | AKR1C3AKR1C1CYP2C9CYP3A4CES1 | |
| SCHEMBL22123624 | 0.82 | ALDH1A1 (0.50) | AKR1C3AKR1C1CYP2C9HTTALDH1A1 | |
| SCHEMBL14948652 | 0.82 | AKR1C3 (0.43) | AKR1C3CYP3A4CES1ALDH1A1MEN1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2646429-A1 | 4-SUBSTITUTED-CYCLOHEXYLAMINO-4-PIPERIDINYL-ACETAMIDE ANTAGONISTS OF CCR2 | Janssen Pharmaceutica, N.V. (BE) | 2013-10-09 | — | — | EP | disclosed |
| WO-2012075115-A1 | 4-SUBSTITUTED-CYCLOHEXYLAMINO-4-PIPERIDINYL-ACETAMIDE ANTAGONISTS OF CCR2 | JANSSEN PHARMACEUTICA NV (BE) | 2012-06-07 | — | — | WO | disclosed |
| US-6025349-A | ANTIARRHYTHMIC PROPERTIES, | HOECHST AKTIENGESELLSCHAFT (DE) | 2000-02-15 | — | — | US | disclosed |