Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.53 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.53 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.53 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | BRPF1 | P55201 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | MRGPRX1 | Q96LB2 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.45 |
| ▸ | GFER | P55789 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL19977134 | 0.90 | HDAC1 (0.46) | HDAC1HDAC8HDAC6NPC1RAB9A | |
| SCHEMBL19976893 | 0.90 | SMN1; SMN2 (0.60) | NPC1RAB9ASMN1; SMN2HTTKMT2A | |
| SCHEMBL19976980 | 0.88 | NPC1 (0.66) | HDAC1NPC1RAB9AHTTLMNA | |
| SCHEMBL19976899 | 0.83 | KMT2A (0.49) | NPC1RAB9ASMN1; SMN2LMNAL3MBTL1 | |
| SCHEMBL16999309 | 0.83 | USP30 (0.57) | L3MBTL1 | |
| SCHEMBL19976972 | 0.82 | GAA (0.59) | NPC1RAB9ASMN1; SMN2HTTMRGPRX1 | |
| SCHEMBL19976970 | 0.81 | NPC1 (0.53) | HDAC1NPC1RAB9ASMN1; SMN2HTT | |
| SCHEMBL19976922 | 0.80 | HPGD (0.66) | NPC1RAB9ASMN1; SMN2HTTLMNA | |
| SCHEMBL19977124 | 0.79 | SMN1; SMN2 (0.62) | NPC1RAB9ASMN1; SMN2LMNAKMT2A | |
| SCHEMBL16119707 | 0.78 | EPHX1 (0.62) | HDAC1HDAC8HDAC6NPC1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| US-9919998-B2 | Antibacterial agents: Nα-aroyl-N-aryl-phenylalaninamides | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2018-03-20 | — | — | US | disclosed |