Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.32 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.31 |
| ▸ | MAOB | P27338 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | SRR | Q9GZT4 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL10998052 | 0.62 | — | — | |
| SCHEMBL28079595 | 0.62 | MAOA (0.38) | CYP3A4MAPTHSD11B1MAOAMAOB | |
| SCHEMBL28325916 | 0.60 | MAOA (0.32) | HSD11B1MAOAMAOBTSHR | |
| SCHEMBL923461 | 0.60 | MAOA (0.48) | CES2CES1AKR1B1HSD11B1KEAP1 | |
| SCHEMBL28310976 | 0.59 | HSD11B1 (0.36) | CYP3A4CES2CES1AKR1B1MAPT | |
| SCHEMBL15122835 | 0.59 | MAOA (0.38) | CYP3A4CES2CES1AKR1B1MEN1 | |
| SCHEMBL1919144 | 0.58 | SLC6A2 (0.56) | MEN1KMT2AHIF1AMAOAMAOB | |
| SCHEMBL3623379 | 0.58 | MAOA (0.41) | CES2CES1AKR1B1HSD11B1MAOA | |
| SCHEMBL13818225 | 0.57 | LMNA (0.43) | CYP3A4CES2CES1AKR1B1KMT2A | |
| SCHEMBL3716772 | 0.57 | MAOA (0.45) | CES2CES1AKR1B1MEN1KMT2A |
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-5512564-A | VIRICIDES, AIDS | BOEHRINGER MANNHEIM GMBH (DE) | 1996-04-30 | — | — | US | disclosed |