Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.47 |
| ▸ | BUB1 | O43683 | 2/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.32 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.32 |
| ▸ | KDM1A | O60341 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.32 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL22912663 | 0.83 | IDO1 (0.55) | IDO1BUB1KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL28460649 | 0.74 | LMNA (0.52) | IDO1 | |
| SCHEMBL30375140 | 0.73 | NOTUM (0.48) | IDO1BUB1ALDH1A1SMN1; SMN2 | |
| SCHEMBL4993 | 0.73 | NOTUM (0.48) | IDO1BUB1ALDH1A1SMN1; SMN2 | |
| SCHEMBL20958107 | 0.71 | ALDH1A1 (0.46) | IDO1KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL25397821 | 0.70 | MAP4K4 (0.46) | IDO1ALDH1A1 | |
| SCHEMBL28582294 | 0.70 | IDO1 (0.44) | IDO1KDM4EALDH1A1SMN1; SMN2CYP1A1 | |
| SCHEMBL3295860 | 0.68 | HPGDS (0.44) | IDO1CYP1A1CYP1B1 | |
| SCHEMBL4614 | 0.67 | — | — | |
| SCHEMBL29463643 | 0.67 | — | — |
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-2491028-A1 | INDAZOLE AND PYRAZOLOPYRIDINE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS | Boehringer Ingelheim International GmbH (DE) | 2012-08-29 | — | — | EP | disclosed |
| WO-2011049917-A1 | INDAZOLE AND PYRAZOLOPYRIDINE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-04-28 | — | — | WO | disclosed |