Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A19 | Q695T7 | 1/20 | 0.49 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.48 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.46 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.46 |
| ▸ | BACE1 | P56817 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 2/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL21901276 | 0.92 | SLC6A19 (0.51) | SLC6A19HSD17B3CYP4F2CYP4A11BACE1 | |
| SCHEMBL29263708 | 0.84 | CYP4F2 (0.46) | CYP4F2CYP4A11LMNAMEN1NPC1 | |
| SCHEMBL31035917 | 0.84 | CYP4F2 (0.46) | CYP4F2CYP4A11LMNAMEN1NPC1 | |
| SCHEMBL9232633 | 0.83 | HSD17B3 (0.53) | SLC6A19HSD17B3BACE1PKMMAOB | |
| SCHEMBL9232628 | 0.83 | HSD17B3 (0.53) | SLC6A19HSD17B3BACE1PKMMAOB | |
| SCHEMBL10653530 | 0.83 | AKT1 (0.51) | CYP4F2CYP4A11MAOBLMNAHDAC1 | |
| SCHEMBL29016750 | 0.83 | AKT1 (0.51) | CYP4F2CYP4A11MAOBLMNAHDAC1 | |
| SCHEMBL10062453 | 0.79 | SLC6A19 (0.47) | SLC6A19HSD17B3CYP4F2CYP4A11BACE1 | |
| SCHEMBL17490828 | 0.77 | HDAC1 (0.52) | LMNAALDH1A1HDAC1HDAC8 | |
| SCHEMBL22146948 | 0.77 | HDAC1 (0.52) | LMNAALDH1A1HDAC1HDAC8 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0271287-A2 | Quinoline dioic acids and amides | MERCK FROSST CANADA INC. (CA) | 1988-06-15 | — | — | EP | disclosed |