Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | POLB | P06746 | 2/20 | 0.50 |
| ▸ | GALR2 | O43603 | 1/20 | 0.50 |
| ▸ | MITF | O75030 | 1/20 | 0.50 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | XBP1 | P17861 | 1/20 | 0.50 |
| ▸ | CCR6 | P51684 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 5/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | ERN1 | O75460 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | CACNA1D | Q01668 | 2/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL31325723 | 0.88 | ERN1 (0.54) | ALDH1A1SMN1; SMN2LMNATSHRMAPT | |
| SCHEMBL27636819 | 0.85 | SLC6A3 (0.59) | ALDH1A1SMN1; SMN2LMNAMAPTHTT | |
| SCHEMBL7640668 | 0.83 | MAPT (0.57) | SMN1; SMN2POLBTSHRMAPTGAA | |
| SCHEMBL27585698 | 0.79 | CASP6 (0.51) | ALDH1A1SMN1; SMN2TSHR | |
| SCHEMBL15847247 | 0.79 | ALDH1A1 (0.51) | ALDH1A1SMN1; SMN2LMNAPOLBGALR2 | |
| SCHEMBL1523174 | 0.79 | ALDH1A1 (0.67) | ALDH1A1SMN1; SMN2LMNAPOLBGALR2 | |
| SCHEMBL27647715 | 0.78 | BCAT2 (0.53) | ALDH1A1LMNAPOLBMAPTERN1 | |
| SCHEMBL27845352 | 0.78 | CTSD (0.43) | ALDH1A1POLBTSHRMAPTHSD17B10 | |
| SCHEMBL27675256 | 0.78 | MAPT (0.55) | ALDH1A1SMN1; SMN2LMNAPOLBGALR2 | |
| SCHEMBL7984053 | 0.78 | ALDH1A1 (0.50) | ALDH1A1SMN1; SMN2LMNAPOLBGALR2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102652128-A | 4-Oxo-1H-quinoline-3-carboxamides as modulators of ATP-binding cassette transporters | VERTEX PHARMA | 2012-08-29 | — | — | CN | disclosed |
| CN-101006076-B | Modulators of ATP-binding cassette transporters | VERTEX PHARMA | 2010-09-29 | — | — | CN | disclosed |
| CN-101006076-A | Modulators of ATP-binding cassette transporters | VERTEX PHARMA (US) | 2007-07-25 | — | — | CN | disclosed |