Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPV1 | Q8NER1 | 13/20 | 0.53 |
| ▸ | NPC1 | O15118 | 3/20 | 0.53 |
| ▸ | RAB9A | P51151 | 3/20 | 0.53 |
| ▸ | HTT | P42858 | 2/20 | 0.53 |
| ▸ | HPGD | P15428 | 2/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | DHPS | P49366 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL19976963 | 0.88 | TRPV1 (0.56) | TRPV1NPC1RAB9AHTTHPGD | |
| SCHEMBL19977099 | 0.84 | NPC1 (0.63) | TRPV1NPC1RAB9AHTTHPGD | |
| SCHEMBL19976985 | 0.84 | TRPV1 (0.52) | TRPV1NPC1RAB9AHTTHPGD | |
| SCHEMBL16994051 | 0.83 | NPC1 (0.48) | TRPV1NPC1RAB9AHTTHPGD | |
| SCHEMBL19977090 | 0.83 | DHPS (0.46) | TRPV1HTTLMNADHPSSMN1; SMN2 | |
| SCHEMBL19977017 | 0.79 | TRPV1 (0.52) | TRPV1MEN1KMT2A | |
| SCHEMBL19976925 | 0.79 | TRPV1 (0.53) | TRPV1NPC1RAB9AHTTHPGD | |
| SCHEMBL19977029 | 0.79 | KDM4E (0.54) | TRPV1HTTLMNAALDH1A1MEN1 | |
| SCHEMBL6531158 | 0.78 | TRPV1 (0.64) | TRPV1NPC1RAB9AHTTHPGD | |
| SCHEMBL19976908 | 0.77 | ALDH1A1 (0.55) | HTTLMNACYP1A2CYP3A4SMN1; 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 |
|---|---|---|---|---|---|---|---|
| US-9919998-B2 | Antibacterial agents: Nα-aroyl-N-aryl-phenylalaninamides | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2018-03-20 | — | — | US | disclosed |