Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | AVPR2 | P30518 | 1/20 | 0.46 |
| ▸ | OXTR | P30559 | 1/20 | 0.46 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | ESR1 | P03372 | 1/20 | 0.45 |
| ▸ | PYGL | P06737 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | IDO1 | P14902 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL19976919 | 0.89 | LMNA (0.47) | ALDH1A1SMN1; SMN2TDP1KMT2AMEN1 | |
| SCHEMBL19976943 | 0.88 | KMT2A (0.48) | ALDH1A1SMN1; SMN2TDP1KMT2AMEN1 | |
| SCHEMBL19976911 | 0.88 | LMNA (0.54) | ALDH1A1SMN1; SMN2CYP1A2CYP2C19CYP3A4 | |
| SCHEMBL19976910 | 0.85 | PGR (0.52) | ALDH1A1SMN1; SMN2CYP1A2CYP2C19CYP3A4 | |
| SCHEMBL19976950 | 0.83 | ALDH1A1 (0.51) | ALDH1A1SMN1; SMN2CYP1A2CYP2C19CYP3A4 | |
| SCHEMBL16999831 | 0.83 | PSMB5 (0.48) | KMT2AMEN1PYGL | |
| SCHEMBL16994065 | 0.83 | PSMB5 (0.48) | KMT2AMEN1PYGL | |
| SCHEMBL19977031 | 0.81 | KCNMA1 (0.54) | ALDH1A1SMN1; SMN2KMT2AMEN1LMNA | |
| SCHEMBL19976968 | 0.80 | KCNMA1 (0.57) | ALDH1A1KMT2AMEN1LMNARAB9A | |
| SCHEMBL19976913 | 0.78 | LMNA (0.43) | ALDH1A1TDP1KMT2ALMNAESR1 |
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 |