Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 1/20 | 0.53 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | HK1 | P19367 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | GALK1 | P51570 | 1/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.44 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9056376 | 1.00 | AHR (0.53) | AHRPDK2ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL2217338 | 0.84 | NPC1 (0.55) | AHRPDK2ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL3456349 | 0.84 | NPC1 (0.55) | AHRPDK2ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL3458619 | 0.81 | LRRK2 (0.48) | ALDH1A1CYP1A2CYP2C19MAPTKDM4E | |
| SCHEMBL9551793 | 0.79 | LRRK2 (0.50) | AHRPDK2ALDH1A1CYP1A2CYP2C19 | |
| Acridan SCHEMBL5475312 | 0.75 | AHR (0.57) | AHRPDK2ALDH1A1CYP1A2NPC1 | |
| SCHEMBL1816980 | 0.75 | AHR (0.63) | AHRPDK2CYP1A2NPC1MAPT | |
| SCHEMBL6249305 | 0.73 | AHR (0.61) | AHRPDK2CYP1A2NPC1MAPT | |
| SCHEMBL4356821 | 0.72 | AHR (0.59) | AHRPDK2CYP1A2NPC1MAPT | |
| SCHEMBL2087698 | 0.72 | TDP2 (0.66) | AHRPDK2CYP1A2NPC1MAPT |
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-1996040141-A1 | 4,5-BRIDGED QUINOXALINEDIONES AND QUINOLONES AND THE USE THEREOF AS EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS | ACEA PHARMACEUTICALS, INC. (US) | 1996-12-19 | — | — | WO | disclosed |