Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITK | Q08881 | 5/20 | 0.39 |
| ▸ | CCR5 | P51681 | 2/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.35 |
| ▸ | TRPV3 | Q8NET8 | 1/20 | 0.34 |
| ▸ | BRPF1 | P55201 | 1/20 | 0.34 |
| ▸ | GSK3B | P49841 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | PAX3 | P23760 | 1/20 | 0.33 |
| ▸ | FOXO1 | Q12778 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL12825058 | 0.78 | NPSR1 (0.41) | CCR5MEN1KMT2A | |
| SCHEMBL12003652 | 0.72 | BRPF1 (0.41) | CCR5BRPF1MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL10292586 | 0.71 | BRPF1 (0.39) | CCR5HDAC1HDAC8HDAC6BRPF1 | |
| SCHEMBL10293043 | 0.70 | BRPF1 (0.39) | CCR5HDAC1HDAC8HDAC6BRPF1 | |
| SCHEMBL10292508 | 0.70 | BRPF1 (0.42) | CCR5HDAC1HDAC8HDAC6BRPF1 | |
| SCHEMBL10004164 | 0.69 | BRPF1 (0.47) | CCR5HDAC1HDAC8HDAC6BRPF1 | |
| SCHEMBL12824596 | 0.69 | SMO (0.37) | — | |
| SCHEMBL12825070 | 0.69 | NPSR1 (0.39) | CCR5MEN1KMT2A | |
| SCHEMBL12824860 | 0.69 | CYP2D6 (0.42) | MEN1KMT2A | |
| SCHEMBL10293044 | 0.69 | RAB9A (0.40) | CCR5BRPF1NPC1RAB9A |
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-2471789-A1 | FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2012-07-04 | — | — | EP | disclosed |