Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.64 |
| ▸ | TSHR | P16473 | 5/20 | 0.56 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.55 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.55 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.55 |
| ▸ | MEN1 | O00255 | 5/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | NPC1 | O15118 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 1/20 | 0.52 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.52 |
| ▸ | HPGD | P15428 | 2/20 | 0.52 |
| ▸ | USP2 | O75604 | 2/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL19977058 | 0.90 | ALDH1A1 (0.60) | ALDH1A1TSHRNPSR1SMN1; SMN2PLA2G1B | |
| SCHEMBL19977050 | 0.89 | MAPK1 (0.63) | ALDH1A1TSHRNPSR1SMN1; SMN2PLA2G1B | |
| SCHEMBL19977082 | 0.89 | KCNQ2 (0.65) | ALDH1A1NPSR1SMN1; SMN2PLA2G1BATG4B | |
| SCHEMBL19977048 | 0.88 | KCNQ2 (0.64) | ALDH1A1NPSR1SMN1; SMN2PLA2G1BATG4B | |
| SCHEMBL19977055 | 0.86 | POLB (0.61) | ALDH1A1TSHRSMN1; SMN2PLA2G1BATG4B | |
| SCHEMBL19977049 | 0.86 | ALDH1A1 (0.55) | ALDH1A1TSHRNPSR1SMN1; SMN2PLA2G1B | |
| SCHEMBL16993904 | 0.84 | ALDH1A1 (0.55) | ALDH1A1SMN1; SMN2PLA2G1BATG4BMEN1 | |
| SCHEMBL19977081 | 0.81 | KCNQ2 (0.54) | ALDH1A1NPSR1MEN1KMT2ACYP1A2 | |
| SCHEMBL24862944 | 0.78 | ALDH1A1 (0.51) | ALDH1A1SMN1; SMN2PLA2G1BATG4BMEN1 | |
| SCHEMBL19977083 | 0.77 | SMN1; SMN2 (0.46) | ALDH1A1SMN1; SMN2PLA2G1BATG4BMEN1 |
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 |