Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 2/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | BLM | P54132 | 1/20 | 0.51 |
| ▸ | TRPV1 | Q8NER1 | 11/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL19976895 | 0.91 | MEN1 (0.63) | MEN1KMT2AMAPK1HTTBLM | |
| SCHEMBL19977097 | 0.86 | CYP2C19 (0.48) | MEN1KMT2AMAPK1HTTBLM | |
| SCHEMBL16993944 | 0.82 | USP30 (0.56) | MEN1KMT2AHDAC6 | |
| SCHEMBL19977125 | 0.81 | SMN1; SMN2 (0.45) | MEN1KMT2AMAPK1HTTBLM | |
| SCHEMBL16993963 | 0.79 | USP30 (0.58) | MEN1KMT2ACYP1A2CYP2C19KDM4E | |
| SCHEMBL19977039 | 0.79 | KDR (0.70) | MEN1KMT2AHTTKDM4EALDH1A1 | |
| SCHEMBL19976894 | 0.78 | ALDH1A1 (0.62) | MEN1KMT2AHTTCYP1A2KDM4E | |
| SCHEMBL19977099 | 0.77 | NPC1 (0.63) | HTTTRPV1CYP1A2CYP2C19ALDH1A1 | |
| SCHEMBL19976900 | 0.77 | SMN1; SMN2 (0.48) | MEN1KMT2AHTTTRPV1CYP1A2 | |
| SCHEMBL19976999 | 0.77 | TRPV1 (0.51) | TRPV1ALDH1A1NPC1RAB9ASMN1; 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 |