Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN1 | Q05586 | 3/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.39 |
| ▸ | GAA | P10253 | 3/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | AURKA | O14965 | 1/20 | 0.38 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.38 |
| ▸ | CYTH2 | Q99418 | 1/20 | 0.38 |
| ▸ | PIK3C3 | Q8NEB9 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4343279 | 0.83 | GRIN1 (0.55) | GRIN1KMT2ATSHRMCL1ALDH1A1 | |
| SCHEMBL4342185 | 0.77 | GRIN1 (0.66) | GRIN1KMT2AALDH1A1LMNAMEN1 | |
| SCHEMBL9573782 | 0.77 | GRIN2D (0.43) | GRIN1KMT2ATSHRMEN1CYP2C9 | |
| SCHEMBL5774466 | 0.76 | ALOX15 (0.46) | GRIN1KMT2ATSHRLMNAMEN1 | |
| SCHEMBL8540492 | 0.75 | GRIN1 (0.48) | GRIN1KMT2ATSHRALDH1A1KDM4E | |
| SCHEMBL9573817 | 0.74 | CA12 (0.38) | GRIN1KMT2ATSHRMEN1CYP2C9 | |
| SCHEMBL8550589 | 0.74 | LMNA (0.49) | KMT2ATSHRALDH1A1KDM4ELMNA | |
| SCHEMBL4344101 | 0.73 | GRIN1 (0.39) | GRIN1KMT2AALDH1A1LMNAMEN1 | |
| SCHEMBL4351615 | 0.71 | GRIN1 (0.38) | GRIN1KMT2ATSHRALDH1A1KDM4E | |
| SCHEMBL6422299 | 0.70 | KMT2A (0.53) | GRIN1KMT2ATSHRALDH1A1KDM4E |
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-1501797-B1 | 3-(SUBSTITUTED AMINO)-1H-INDOLE-2-CARBOXYLIC ACID ESTER AND 3-(SUBSTITUTED AMINO)-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID ESTER DERIVATIVES AS INTERLEUKIN-4 GENE EXPRESSION INHIBITORS | AVENTIS PHARMA INC (US) | 2009-08-05 | — | — | EP | claimed |