Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | HTR6 | P50406 | 1/20 | 0.38 |
| ▸ | NOTUM | Q6P988 | 3/20 | 0.38 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.36 |
| ▸ | MALT1 | Q9UDY8 | 2/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.36 |
| ▸ | RELA | Q04206 | 1/20 | 0.36 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28059051 | 0.79 | ALDH1A1 (0.42) | ALDH1A1CYP1A2CYP3A4NOTUMPDE10A | |
| SCHEMBL14438049 | 0.78 | ALDH1A1 (0.44) | ALDH1A1CYP1A2CYP3A4NOTUMKDM4E | |
| SCHEMBL27610728 | 0.78 | MIF (0.44) | ALDH1A1CYP1A2CYP3A4NOTUMPDE10A | |
| SCHEMBL16322113 | 0.76 | NOTUM (0.59) | ALDH1A1CYP1A2CYP3A4NOTUMKDM4E | |
| SCHEMBL21611997 | 0.76 | ALDH1A1 (0.45) | ALDH1A1CYP1A2CYP3A4NOTUMKDM4E | |
| SCHEMBL5548440 | 0.76 | HDAC3 (0.42) | ALDH1A1CYP1A2CYP3A4NOTUMPDE10A | |
| SCHEMBL5536078 | 0.75 | HDAC3 (0.44) | ALDH1A1CYP1A2CYP3A4NOTUMPDE10A | |
| SCHEMBL22111911 | 0.75 | ALDH1A1 (0.48) | ALDH1A1CYP1A2CYP3A4NOTUMPDE10A | |
| SCHEMBL294640 | 0.75 | ALDH1A1 (0.44) | ALDH1A1CYP1A2CYP3A4NOTUMPDE10A | |
| SCHEMBL16322298 | 0.75 | ALDH1A1 (0.44) | ALDH1A1CYP1A2CYP3A4NOTUMPDE10A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0022078-B1 | PYRAZOLO-QUINOLINES, PROCESSES FOR THEIR PRODUCTION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | CIBA-GEIGY AG (CH) | 1984-07-25 | — | — | EP | disclosed |