Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 4/20 | 0.47 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 4/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.41 |
| ▸ | XDH | P47989 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1135201 | 0.76 | CCR1 (0.61) | MAPK14CYP1A2CYP17A1 | |
| SCHEMBL567998 | 0.76 | CCR1 (0.55) | MAPK14 | |
| Hydrochloric Acid SCHEMBL1136005 | 0.75 | CCR1 (0.60) | MAPK14CYP1A2CYP17A1 | |
| SCHEMBL12670790 | 0.75 | MAPK14 (0.45) | MAPK14KMT2ACYP1A2CYP17A1 | |
| SCHEMBL22323156 | 0.72 | KDM4E (0.40) | MAPTKDM4EALDH1A1KMT2ASMN1; SMN2 | |
| SCHEMBL6052478 | 0.72 | PTPN1 (0.55) | MAPTMAPK14KDM4EPTPN1KMT2A | |
| SCHEMBL2792560 | 0.72 | MAPK14 (0.72) | MAPK14KDM4EPTPN1KMT2AMEN1 | |
| SCHEMBL1074233 | 0.72 | MAPK1 (0.58) | MAPTMAPK14ALDH1A1PTPN1NPC1 | |
| SCHEMBL16026960 | 0.70 | CYP17A1 (0.68) | CYP1A2CYP17A1 | |
| SCHEMBL1135708 | 0.70 | CCR1 (0.44) | MAPK14PTPN1LMNA |
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-2493875-A1 | HETEROCYCLIC COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS | Boehringer Ingelheim International GmbH (DE) | 2012-09-05 | — | — | EP | disclosed |
| WO-2011056440-A1 | HETEROCYCLIC COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-05-12 | — | — | WO | disclosed |