Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 3/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 6/20 | 0.39 |
| ▸ | NPC1 | O15118 | 6/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | PKM | P14618 | 3/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 3/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | MASP2 | O00187 | 1/20 | 0.37 |
| ▸ | NUDT1 | P36639 | 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 | |
|---|---|---|---|---|
| SCHEMBL28219261 | 0.88 | ALDH1A1 (0.48) | TP53HSD17B10TSHRRAB9ANPC1 | |
| SCHEMBL8167128 | 0.85 | TP53 (0.44) | TP53HSD17B10ALOX15TSHRMAPK1 | |
| SCHEMBL8162770 | 0.78 | ALDH1A1 (0.48) | TP53HSD17B10TSHRRAB9ANPC1 | |
| SCHEMBL31601676 | 0.78 | ALDH1A1 (0.48) | TP53HSD17B10TSHRRAB9ANPC1 | |
| SCHEMBL28818192 | 0.73 | NPC1 (0.43) | TP53HSD17B10TSHRMAPK1RAB9A | |
| SCHEMBL8161285 | 0.72 | FLT3 (0.36) | TP53HSD17B10MAPK1RAB9ANPC1 | |
| SCHEMBL7857823 | 0.69 | ALDH1A1 (0.58) | TP53HSD17B10TSHRRAB9ANPC1 | |
| SCHEMBL8154887 | 0.68 | — | — | |
| SCHEMBL29188550 | 0.68 | CA1 (0.36) | TSHRKDM4EPOLBMAPTLMNA | |
| SCHEMBL1507258 | 0.68 | CA1 (0.31) | — |
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 |