Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.41 |
| ▸ | RAB9A | P51151 | 5/20 | 0.41 |
| ▸ | NPC1 | O15118 | 4/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | PKM | P14618 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 4/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MASP2 | O00187 | 1/20 | 0.39 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.39 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8154547 | 0.85 | TP53 (0.43) | TP53HSD17B10ALOX15TSHRMAPK1 | |
| SCHEMBL8162770 | 0.74 | ALDH1A1 (0.48) | TP53HSD17B10TSHRALDH1A1KDM4E | |
| SCHEMBL31601676 | 0.74 | ALDH1A1 (0.48) | TP53HSD17B10TSHRALDH1A1KDM4E | |
| SCHEMBL28219261 | 0.74 | ALDH1A1 (0.48) | TP53HSD17B10TSHRALDH1A1KDM4E | |
| SCHEMBL8162735 | 0.71 | AOC3 (0.37) | HSD17B10ALDH1A1KDM4ERAB9ANPC1 | |
| SCHEMBL7857823 | 0.70 | ALDH1A1 (0.58) | TP53HSD17B10TSHRALDH1A1KDM4E | |
| SCHEMBL28818192 | 0.69 | NPC1 (0.43) | TP53HSD17B10TSHRMAPK1ALDH1A1 | |
| SCHEMBL18400238 | 0.68 | ALDH1A1 (0.54) | TP53HSD17B10TSHRALDH1A1KDM4E | |
| SCHEMBL1748039 | 0.68 | NPC1 (0.54) | TP53HSD17B10ALDH1A1KDM4ERAB9A | |
| SCHEMBL9629621 | 0.68 | ALDH1A1 (0.54) | TP53HSD17B10TSHRALDH1A1KDM4E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1054914-A1 | ZWITTERIONIC, NEUTRAL TRANSITION METAL COMPOUND | Basell Polyolefine GmbH (DE) | 2000-11-29 | — | — | EP | disclosed |
| WO-2000035973-A1 | ZWITTERIONIC, NEUTRAL TRANSITION METAL COMPOUND WHICH CONTAINS BORON | TARGOR GMBH (DE) | 2000-06-22 | — | — | WO | disclosed |