Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.69 |
| ▸ | HPGD | P15428 | 1/20 | 0.69 |
| ▸ | HTT | P42858 | 1/20 | 0.69 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.65 |
| ▸ | LMNA | P02545 | 3/20 | 0.64 |
| ▸ | AR | P10275 | 1/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.57 |
| ▸ | MEN1 | O00255 | 3/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.57 |
| ▸ | CA1 | P00915 | 2/20 | 0.55 |
| ▸ | CA2 | P00918 | 2/20 | 0.55 |
| ▸ | CA9 | Q16790 | 2/20 | 0.55 |
| ▸ | CA12 | O43570 | 1/20 | 0.55 |
| ▸ | DHODH | Q02127 | 2/20 | 0.53 |
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | GPR174 | Q9BXC1 | 1/20 | 0.44 |
| ▸ | AHR | P35869 | 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 | |
|---|---|---|---|---|
| SCHEMBL29745666 | 1.00 | NPC1 (0.69) | NPC1HPGDHTTNPSR1LMNA | |
| SCHEMBL7256296 | 0.86 | NPSR1 (0.64) | NPC1HPGDHTTNPSR1LMNA | |
| SCHEMBL11884897 | 0.83 | DHODH (0.57) | NPC1HPGDHTTNPSR1LMNA | |
| SCHEMBL8581136 | 0.79 | MEN1 (0.59) | NPC1HPGDHTTNPSR1LMNA | |
| SCHEMBL14247202 | 0.77 | LMNA (0.58) | NPC1HPGDHTTNPSR1LMNA | |
| SCHEMBL29682998 | 0.77 | LMNA (0.58) | NPC1HPGDHTTNPSR1LMNA | |
| SCHEMBL1231192 | 0.74 | GPR174 (0.43) | NPC1HPGDHTTNPSR1LMNA | |
| SCHEMBL479805 | 0.73 | DHODH (0.76) | NPC1HPGDHTTNPSR1LMNA | |
| SCHEMBL19851118 | 0.73 | CA12 (0.63) | HTTLMNAALDH1A1MEN1KMT2A | |
| SCHEMBL20766620 | 0.73 | CA2 (0.62) | LMNAALDH1A1MEN1KMT2AKDM4E |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2797918-A1 | BROMODOMAIN INHIBITORS | AbbVie Inc. (US) | 2014-11-05 | — | — | EP | claimed |
| WO-2013097601-A1 | BROMODOMAIN INHIBITORS | ABBVIE INC. (US) | 2013-07-04 | — | — | WO | claimed |
| EP-2797918-A1 | BROMODOMAIN INHIBITORS | AbbVie Inc. (US) | 2014-11-05 | — | — | EP | disclosed |
| WO-2013097601-A1 | BROMODOMAIN INHIBITORS | ABBVIE INC. (US) | 2013-07-04 | — | — | WO | disclosed |