Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERBB2 | P04626 | 1/20 | 0.61 |
| ▸ | NQO2 | P16083 | 5/20 | 0.46 |
| ▸ | MAPT | P10636 | 4/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | NPC1 | O15118 | 4/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | ATM | Q13315 | 2/20 | 0.35 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.35 |
| ▸ | MMP2 | P08253 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | FABP6 | P51161 | 1/20 | 0.34 |
| ▸ | BACE1 | P56817 | 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 | |
|---|---|---|---|---|
| SCHEMBL9701697 | 0.79 | ERBB2 (0.44) | ERBB2NQO2MAPTKDM4ENPC1 | |
| SCHEMBL19075884 | 0.78 | NQO2 (0.57) | ERBB2NQO2MAPTKDM4ENPC1 | |
| SCHEMBL30932232 | 0.78 | NQO2 (0.57) | ERBB2NQO2MAPTKDM4ENPC1 | |
| SCHEMBL14532727 | 0.78 | ERBB2 (1.00) | ERBB2NQO2MAPTKDM4ENPC1 | |
| SCHEMBL9700694 | 0.75 | MMP1 (0.45) | ERBB2NQO2GAAMMP2 | |
| SCHEMBL9699572 | 0.75 | ERBB2 (0.39) | ERBB2 | |
| SCHEMBL9700631 | 0.75 | NQO2 (0.52) | ERBB2NQO2MAPTKDM4EALDH1A1 | |
| SCHEMBL13388975 | 0.74 | NQO2 (0.72) | NQO2MAPTKDM4ENPC1RAB9A | |
| SCHEMBL1161761 | 0.73 | ATM (0.47) | ERBB2MAPTKDM4ENPC1RAB9A | |
| SCHEMBL7691783 | 0.73 | NQO2 (0.54) | ERBB2NQO2MAPTKDM4ENPC1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2009215282-A | QUINOXALINE-BASED COMPOUND OR SALT THEREOF, AND INDUSTRIAL BACTERICIDAL COMPOSITION | JAPAN ENVIRO CHEMICALS LTD | 2009-09-24 | — | — | JP | disclosed |
| US-5118675-A | Therapy for central nervous system disorders | AMERICAN HOME PRODUCTS CORPORATION (US) | 1992-06-02 | — | — | US | disclosed |