Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 3/20 | 0.49 |
| ▸ | NQO1 | P15559 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | NQO2 | P16083 | 3/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.42 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL12393704 | 0.93 | NQO1 (0.55) | ABCG2NQO1KDM4EMAPTATM | |
| SCHEMBL12425675 | 0.80 | NQO1 (0.76) | NQO1KDM4EMAPTABCB1MAOA | |
| SCHEMBL12393717 | 0.80 | ABCG2 (0.50) | ABCG2NQO1KDM4EMAPTATM | |
| SCHEMBL12393719 | 0.77 | NQO1 (0.51) | ABCG2NQO1KDM4EMEN1KMT2A | |
| SCHEMBL8666953 | 0.77 | ALDH1A1 (0.50) | ABCG2NQO1KDM4EMAPTATM | |
| SCHEMBL28537410 | 0.75 | ABCG2 (0.59) | ABCG2KDM4EMAPTATMNQO2 | |
| SCHEMBL3392816 | 0.72 | NQO1 (0.59) | NQO1KDM4EMAPTATMABCB1 | |
| SCHEMBL3390740 | 0.71 | ABCG2 (0.60) | ABCG2NQO1KDM4EMAPTATM | |
| SCHEMBL2301526 | 0.69 | MAPT (0.50) | ABCG2NQO1KDM4EMAPTNQO2 | |
| SCHEMBL3392890 | 0.69 | NQO1 (0.90) | NQO1KDM4EATMMAOAMEN1 |
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-2011101810-A1 | USE OF INDANTHRENE COMPOUNDS IN ORGANIC PHOTOVOLTAICS | BASF SE (DE) | 2011-08-25 | — | — | WO | disclosed |