Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 5/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.48 |
| ▸ | HTT | P42858 | 2/20 | 0.48 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.45 |
| ▸ | MMP3 | P08254 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | CXCR4 | P61073 | 2/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL13454407 | 0.81 | NR3C1 (0.44) | ALDH1A1KMT2AMAPT | |
| SCHEMBL12770117 | 0.80 | ALDH1A1 (0.45) | ALDH1A1LMNATSHRMEN1KMT2A | |
| SCHEMBL3196609 | 0.80 | NPC1 (0.51) | ALDH1A1LMNAMEN1KMT2AHTT | |
| SCHEMBL6629548 | 0.78 | ALDH1A1 (0.54) | ALDH1A1LMNATSHRMEN1KMT2A | |
| SCHEMBL2057187 | 0.78 | ALDH1A1 (0.54) | ALDH1A1LMNATSHRMEN1KMT2A | |
| SCHEMBL10768163 | 0.76 | ALDH1A1 (0.42) | ALDH1A1LMNATSHRMEN1KMT2A | |
| SCHEMBL8930273 | 0.76 | ALDH1A1 (0.52) | ALDH1A1LMNATSHRMEN1KMT2A | |
| SCHEMBL15672917 | 0.76 | ALDH1A1 (0.52) | ALDH1A1LMNATSHRMEN1KMT2A | |
| SCHEMBL12305028 | 0.76 | ALDH1A1 (0.52) | ALDH1A1LMNATSHRMEN1KMT2A | |
| SCHEMBL1243447 | 0.76 | CA2 (0.64) | ALDH1A1LMNATSHRMEN1KMT2A |
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-2346868-A1 | AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-07-27 | — | — | EP | disclosed |
| WO-2010036632-A1 | AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-04-01 | — | — | WO | disclosed |