Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | GRM5 | P41594 | 1/20 | 0.44 |
| ▸ | PYGL | P06737 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | KDR | P35968 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | AHR | P35869 | 1/20 | 0.40 |
| ▸ | CCKAR | P32238 | 1/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.40 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.40 |
| ▸ | PGR | P06401 | 1/20 | 0.40 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.40 |
| ▸ | AR | P10275 | 1/20 | 0.40 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL19977034 | 0.88 | PARP1 (0.46) | TRPV1GRM5PYGLHPGDKMT2A | |
| SCHEMBL19976949 | 0.87 | KMT2A (0.45) | TRPV1SMN1; SMN2GRM5KMT2AHTT | |
| SCHEMBL19976902 | 0.84 | SMN1; SMN2 (0.45) | TRPV1SMN1; SMN2CYP1A2CYP2C19KMT2A | |
| SCHEMBL16993985 | 0.82 | PSMB5 (0.46) | PYGLCCKARROCK2 | |
| SCHEMBL19976910 | 0.78 | PGR (0.52) | SMN1; SMN2PYGLCYP1A2HPGDCYP2C19 | |
| SCHEMBL19976903 | 0.78 | MEN1 (0.50) | TRPV1HPGDKMT2ANR3C1PGR | |
| SCHEMBL19977127 | 0.76 | TRPV1 (0.54) | TRPV1KMT2AHTT | |
| SCHEMBL19977030 | 0.75 | MAPT (0.57) | SMN1; SMN2PYGLKMT2AHTTKDM4E | |
| SCHEMBL19977046 | 0.73 | KMT2A (0.50) | SMN1; SMN2PYGLCYP1A2HPGDCYP2C19 | |
| SCHEMBL19976933 | 0.72 | PABPC1 (0.73) | SMN1; SMN2KDRKMT2AHTTKDM4E |
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 |