Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 4/20 | 0.54 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.54 |
| ▸ | NPC1 | O15118 | 3/20 | 0.51 |
| ▸ | RAB9A | P51151 | 3/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | XBP1 | P17861 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | KIF11 | P52732 | 1/20 | 0.51 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.50 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.50 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.50 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.50 |
| ▸ | TRPV1 | Q8NER1 | 4/20 | 0.49 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.49 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.49 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL4638262 | 1.00 | NR1H4 (0.54) | NR1H4EPHX2NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL4638830 | 0.79 | CNR1 (0.47) | NR1H4EPHX2NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL2090691 | 0.77 | NR1H4 (0.65) | NR1H4EPHX2NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL4638058 | 0.76 | KIF11 (0.51) | EPHX2NPC1RAB9ASMN1; SMN2MEN1 | |
| SCHEMBL4638060 | 0.76 | KIF11 (0.51) | EPHX2NPC1RAB9ASMN1; SMN2MEN1 | |
| SCHEMBL13756246 | 0.75 | MAPT (0.81) | NR1H4EPHX2NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL2730172 | 0.75 | MAPT (0.81) | NR1H4EPHX2NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL14076379 | 0.74 | NR1H4 (0.61) | NR1H4EPHX2NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL2090688 | 0.74 | NPC1 (0.61) | NR1H4EPHX2NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL785306 | 0.74 | NR1H4 (0.66) | NR1H4EPHX2NPC1RAB9ASMN1; SMN2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1889831-A2 | Diazenedicarboxamides as inhibitors of D-alanine: D-alanine ligase (Ddl) | University of Ljubljana (SI) | 2008-02-20 | — | — | EP | disclosed |