Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F10 | P00742 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | CASP1 | P29466 | 1/20 | 0.40 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.40 |
| ▸ | CASP7 | P55210 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL112819 | 0.91 | KDM4E (0.39) | F10NPC1CYP1A2CYP2D6HPGD | |
| SCHEMBL161641 | 0.78 | F10 (0.48) | F10NPC1CYP1A2CYP2D6HPGD | |
| SCHEMBL113651 | 0.76 | CXCR3 (0.51) | F10NPC1CYP1A2CYP2D6HPGD | |
| SCHEMBL109300 | 0.76 | SCN10A (0.36) | RAB9AALDH1A1KMT2AMAPTSMN1; SMN2 | |
| SCHEMBL112005 | 0.74 | GRAMD1A (0.53) | F10NPC1CYP1A2CYP2D6HPGD | |
| SCHEMBL161011 | 0.71 | ALDH1A1 (0.44) | F10NPC1CYP1A2CYP2D6HPGD | |
| SCHEMBL13077265 | 0.69 | ROCK2 (0.43) | F10NPC1CYP1A2CYP2D6HPGD | |
| SCHEMBL112973 | 0.68 | CXCR3 (0.53) | NPC1CYP1A2HPGDCYP2C19RAB9A | |
| SCHEMBL112526 | 0.67 | F10 (0.47) | F10NPC1CYP1A2CYP2D6HPGD | |
| SCHEMBL8842998 | 0.67 | NPC1 (0.66) | F10NPC1CYP1A2CYP2D6HPGD |
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-2424858-A1 | CXCR3 RECEPTOR ANTAGONISTS | Boehringer Ingelheim International GmbH (DE) | 2012-03-07 | — | — | EP | disclosed |
| WO-2010126851-A1 | CXCR3 RECEPTOR ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-11-04 | — | — | WO | disclosed |