Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.48 |
| ▸ | PPARG | P37231 | 3/20 | 0.47 |
| ▸ | PPARA | Q07869 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | UGT2B7 | P16662 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL15421301 | 0.81 | CYP1A2 (0.48) | CYP1A2CYP2A6PPARGPPARAMAPT | |
| SCHEMBL9353539 | 0.78 | MTNR1A (0.42) | CYP1A2MEN1KMT2ALMNA | |
| SCHEMBL276584 | 0.78 | CYP1A2 (0.58) | CYP1A2CYP2A6PPARGPPARAMAPT | |
| SCHEMBL43675 | 0.78 | MTNR1A (0.42) | CYP1A2MEN1KMT2ALMNA | |
| SCHEMBL2256256 | 0.75 | CYP2A6 (0.54) | CYP1A2CYP2A6PPARGPPARAMAPT | |
| SCHEMBL7857138 | 0.75 | CYP1A2 (0.54) | CYP1A2CYP2A6PPARGPPARAMAPT | |
| SCHEMBL11746367 | 0.75 | CYP1A2 (0.54) | CYP1A2CYP2A6PPARGPPARAMAPT | |
| SCHEMBL19655046 | 0.75 | CYP2A6 (0.54) | CYP1A2CYP2A6PPARGPPARAMAPT | |
| SCHEMBL8889549 | 0.75 | RAB9A (0.40) | MEN1KMT2ACA1CA2CA9 | |
| SCHEMBL27612947 | 0.75 | CYP2A6 (0.54) | CYP1A2CYP2A6PPARGPPARAMAPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-1993013066-A1 | CYCLIC AMIDES OF 3-AMINO-2-HYDROXY-CARBOXYLIC ACIDS AS HIV-PROTEASE INHIBITORS | SYNTEX (U.S.A.) INC. (US) | 1993-07-08 | — | — | WO | disclosed |