Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.51 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.47 |
| ▸ | GBA1 | P04062 | 4/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.36 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.34 |
| ▸ | PDE5A | O76074 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL27931149 | 0.95 | CYP1A2 (0.53) | CYP1A2TRPV1GBA1SMN1; SMN2NPC1 | |
| SCHEMBL27947579 | 0.81 | CYP1A2 (0.44) | CYP1A2TRPV1GBA1SMN1; SMN2POLB | |
| SCHEMBL27947596 | 0.76 | CYP1A2 (0.54) | CYP1A2GBA1MEN1KMT2ANPC1 | |
| SCHEMBL27947605 | 0.73 | CYP1A2 (0.51) | CYP1A2GBA1SMN1; SMN2NPC1ALDH1A1 | |
| SCHEMBL27947611 | 0.73 | CYP1A2 (0.51) | CYP1A2MEN1KMT2ASMN1; SMN2NPC1 | |
| SCHEMBL27931163 | 0.72 | CYP1A2 (0.50) | CYP1A2TRPV1GBA1MEN1KMT2A | |
| SCHEMBL30483555 | 0.71 | CYP1A2 (0.58) | CYP1A2MEN1KMT2ANPC1RAB9A | |
| SCHEMBL19981078 | 0.71 | CYP1A2 (0.58) | CYP1A2MEN1KMT2ANPC1RAB9A | |
| SCHEMBL847628 | 0.69 | TRPV1 (0.81) | CYP1A2TRPV1SMN1; SMN2NPC1ALDH1A1 | |
| SCHEMBL31325780 | 0.68 | CYP1A2 (0.58) | CYP1A2SMN1; SMN2NPC1RAB9AABCG2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-103459382-A | Heterocyclic compounds for the inhibition of pask | BIOENERGENIX LLC | 2013-12-18 | — | — | CN | claimed |