Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | MRGPRX1 | Q96LB2 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 4/20 | 0.42 |
| ▸ | RAB9A | P51151 | 4/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | GFER | P55789 | 1/20 | 0.40 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL19977005 | 0.91 | ALDH1A1 (0.44) | SMN1; SMN2ALDH1A1NPSR1KDM4ETDP1 | |
| SCHEMBL19976912 | 0.85 | MRGPRX1 (0.48) | SMN1; SMN2ALDH1A1NPSR1KDM4ECYP1A2 | |
| SCHEMBL19977052 | 0.84 | MRGPRX1 (0.47) | SMN1; SMN2ALDH1A1NPSR1KDM4ECYP1A2 | |
| SCHEMBL19976937 | 0.84 | TP53 (0.52) | SMN1; SMN2ALDH1A1KDM4EL3MBTL1CYP1A2 | |
| SCHEMBL19976991 | 0.84 | MRGPRX1 (0.47) | SMN1; SMN2ALDH1A1KDM4ECYP1A2CYP3A4 | |
| SCHEMBL19976988 | 0.82 | MEN1 (0.52) | SMN1; SMN2ALDH1A1NPSR1KDM4ETDP1 | |
| SCHEMBL16993959 | 0.82 | USP30 (0.52) | — | |
| SCHEMBL16999272 | 0.79 | USP30 (0.54) | — | |
| SCHEMBL18261143 | 0.79 | USP30 (0.54) | — | |
| SCHEMBL19977126 | 0.78 | MRGPRX1 (0.44) | SMN1; SMN2ALDH1A1NPSR1KDM4ECYP1A2 |
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 |