Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PAOX | Q6QHF9 | 2/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | BLM | P54132 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | THRB | P10828 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | PLG | P00747 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.38 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.38 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL13895336 | 0.94 | CYP1A2 (0.42) | PAOXCYP2D6NFKB1ALDH1A1BLM | |
| SCHEMBL26742537 | 0.88 | PAOX (0.40) | PAOXCYP2D6NFKB1ALDH1A1BLM | |
| SCHEMBL3203998 | 0.85 | GAA (0.37) | PAOXALDH1A1KMT2AMEN1CHRNB2 | |
| SCHEMBL14600035 | 0.84 | CHRNB2 (0.45) | ALDH1A1LMNACHRNB2CHRNB4CHRNA4 | |
| SCHEMBL21765307 | 0.82 | PAOX (0.45) | PAOXCYP2D6NFKB1ALDH1A1BLM | |
| SCHEMBL24183277 | 0.81 | LMNA (0.45) | PAOXCYP2D6NFKB1ALDH1A1BLM | |
| SCHEMBL18023622 | 0.80 | PAOX (0.42) | PAOXCYP2D6NFKB1ALDH1A1BLM | |
| SCHEMBL8589783 | 0.79 | PAOX (0.50) | PAOXCYP2D6NFKB1ALDH1A1BLM | |
| SCHEMBL24340744 | 0.79 | ALDH1A1 (0.50) | ALDH1A1LMNAKMT2AMEN1ALOX15 | |
| SCHEMBL19248817 | 0.79 | GPR84 (0.43) | ALDH1A1CHRNB2CHRNB4CHRNA4 |
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-7514468-B2 | Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2009-04-07 | — | — | US | disclosed |