Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.53 |
| ▸ | NPC1 | O15118 | 3/20 | 0.53 |
| ▸ | RAB9A | P51151 | 3/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.53 |
| ▸ | HPGD | P15428 | 3/20 | 0.53 |
| ▸ | TSHR | P16473 | 3/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | GLA | P06280 | 1/20 | 0.53 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.53 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.42 |
| ▸ | MMP1 | P03956 | 1/20 | 0.41 |
| ▸ | MMP2 | P08253 | 1/20 | 0.41 |
| ▸ | MMP9 | P14780 | 1/20 | 0.41 |
| ▸ | MMP12 | P39900 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL290777 | 0.74 | TSHR (0.77) | ALDH1A1NPC1RAB9AL3MBTL1HPGD | |
| SCHEMBL9317072 | 0.74 | ALDH1A1 (0.63) | ALDH1A1NPC1RAB9AL3MBTL1HPGD | |
| SCHEMBL2639728 | 0.71 | ALDH1A1 (0.63) | ALDH1A1NPC1RAB9AL3MBTL1HPGD | |
| SCHEMBL31053811 | 0.70 | ALDH1A1 (1.00) | ALDH1A1NPC1RAB9AL3MBTL1HPGD | |
| SCHEMBL446803 | 0.70 | ALDH1A1 (1.00) | ALDH1A1NPC1RAB9AL3MBTL1HPGD | |
| SCHEMBL4885899 | 0.70 | NPC1 (0.55) | ALDH1A1NPC1RAB9AL3MBTL1HPGD | |
| SCHEMBL31205771 | 0.70 | TSHR (0.71) | ALDH1A1NPC1RAB9AL3MBTL1HPGD | |
| SCHEMBL20506827 | 0.70 | TSHR (0.71) | ALDH1A1NPC1RAB9AL3MBTL1HPGD | |
| SCHEMBL112400 | 0.69 | TDP1 (0.70) | ALDH1A1NPC1RAB9AL3MBTL1HPGD | |
| SCHEMBL29626023 | 0.69 | TDP1 (0.70) | ALDH1A1NPC1RAB9AL3MBTL1HPGD |
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-2285783-A1 | INDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS | Boehringer Ingelheim International GmbH (DE) | 2011-02-23 | — | — | EP | disclosed |
| WO-2009134666-A1 | INDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-11-05 | — | — | WO | disclosed |