Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | XDH | P47989 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 9/20 | 0.39 |
| ▸ | NPC1 | O15118 | 8/20 | 0.39 |
| ▸ | MAPT | P10636 | 5/20 | 0.39 |
| ▸ | HTT | P42858 | 4/20 | 0.39 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL12208210 | 0.78 | ATG4B (0.46) | ALDH1A1HPGDALOX15XDHRAB9A | |
| SCHEMBL12208069 | 0.78 | ALDH1A1 (0.45) | ALDH1A1HPGDALOX15XDHRAB9A | |
| SCHEMBL11855456 | 0.76 | ALDH1A1 (0.38) | ALDH1A1HPGDALOX15XDHRAB9A | |
| SCHEMBL13298952 | 0.74 | XDH (0.44) | ALDH1A1HPGDALOX15XDHRAB9A | |
| SCHEMBL12597661 | 0.74 | ATG4B (0.43) | ALDH1A1HPGDALOX15XDHRAB9A | |
| SCHEMBL14332762 | 0.73 | ALDH1A1 (0.47) | ALDH1A1HPGDALOX15XDHRAB9A | |
| SCHEMBL8178603 | 0.73 | ALDH1A1 (0.44) | ALDH1A1HPGDALOX15XDHRAB9A | |
| SCHEMBL15545484 | 0.73 | ALDH1A1 (0.41) | ALDH1A1HPGDALOX15XDHRAB9A | |
| SCHEMBL15545470 | 0.71 | POLB (0.56) | ALDH1A1HPGDRAB9ANPC1MAPT | |
| SCHEMBL11516196 | 0.71 | HSD17B1 (0.49) | ALDH1A1HPGDXDHRAB9ANPC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1716122-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | Vertex Pharmaceuticals Incorporated (US) | 2006-11-02 | — | — | EP | claimed |
| WO-2005075435-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2005-08-18 | — | — | WO | claimed |
| EP-3219709-A1 | INTERMEDIATE COMPOUND OF MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | Vertex Pharmaceuticals Incorporated (US) | 2017-09-20 | — | — | EP | disclosed |