Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | NOS2 | P35228 | 2/20 | 0.42 |
| ▸ | NOS3 | P29474 | 1/20 | 0.42 |
| ▸ | NOS1 | P29475 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 12/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 12/20 | 0.41 |
| ▸ | CYP2E1 | P05181 | 11/20 | 0.41 |
| ▸ | CYP2C8 | P10632 | 11/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 11/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 11/20 | 0.41 |
| ▸ | CYP2B6 | P20813 | 11/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 10/20 | 0.41 |
| ▸ | BRS3 | P32247 | 2/20 | 0.40 |
| ▸ | FYN | P06241 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8384667 | 0.89 | RAB9A (0.46) | HTTCYP1A2CYP2C19CYP2E1CYP2C8 | |
| SCHEMBL8381287 | 0.85 | MAPT (0.40) | HTTNOS2NOS3CYP1A2CYP2C19 | |
| SCHEMBL8379364 | 0.85 | ATP4A (0.38) | HTTFYNMEN1ALDH1A1MAPT | |
| Water SCHEMBL8379647 | 0.84 | MAPT (0.39) | HTTNOS2NOS3CYP1A2CYP2C19 | |
| SCHEMBL8384646 | 0.83 | HPGD (0.41) | MEN1ALDH1A1MAPTKMT2ARAB9A | |
| SCHEMBL8379499 | 0.83 | CYP2C19 (0.42) | HTTCYP1A2CYP2C19CYP2E1CYP2C8 | |
| SCHEMBL8379479 | 0.82 | MEN1 (0.49) | HTTNOS2NOS3NOS1CYP1A2 | |
| SCHEMBL8384586 | 0.82 | FABP6 (0.45) | NOS2NOS3MEN1ALDH1A1MAPT | |
| SCHEMBL8379290 | 0.81 | MEN1 (0.36) | NOS2NOS3CYP1A2CYP2C19CYP2D6 | |
| SCHEMBL8379431 | 0.81 | MAOA (0.37) | MEN1ALDH1A1MAPTKMT2A |
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-5945425-A | ADENOSINE TRIPHOSPHASE INHIBITOR; DNA VIRICIDE | G.D. SEARLE & CO. (US) | 1999-08-31 | — | — | US | disclosed |