Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 6/20 | 0.65 |
| ▸ | MAOB | P27338 | 4/20 | 0.52 |
| ▸ | MEN1 | O00255 | 3/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | POLB | P06746 | 2/20 | 0.49 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.49 |
| ▸ | MAPT | P10636 | 3/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.47 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL997049 | 1.00 | ABCG2 (0.65) | ABCG2MAOBMEN1KMT2APOLB | |
| SCHEMBL998480 | 0.84 | ABCG2 (0.68) | ABCG2MEN1KMT2AKDM4EMAPT | |
| SCHEMBL998483 | 0.84 | ABCG2 (0.68) | ABCG2MEN1KMT2AKDM4EMAPT | |
| SCHEMBL21833996 | 0.81 | MAPT (0.57) | ABCG2MAOBMEN1KMT2APOLB | |
| SCHEMBL21833995 | 0.81 | MAPT (0.57) | ABCG2MAOBMEN1KMT2APOLB | |
| SCHEMBL19423222 | 0.79 | ABCG2 (0.74) | ABCG2MAOBMEN1KMT2APOLB | |
| SCHEMBL29443544 | 0.79 | ABCG2 (1.00) | ABCG2MAOBMEN1KMT2AKDM4E | |
| SCHEMBL997086 | 0.79 | ABCG2 (0.58) | ABCG2MEN1KMT2APOLBPTPN1 | |
| SCHEMBL997472 | 0.79 | ABCG2 (0.65) | ABCG2MAOBMEN1KMT2APOLB | |
| SCHEMBL997474 | 0.79 | ABCG2 (0.65) | ABCG2MAOBMEN1KMT2APOLB |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011009826-A2 | NOVEL CHALCONE DERIVATIVES WITH CYTOTOXIC ACTIVITY | ADAMED Sp.z o.o. (PL) | 2011-01-27 | — | — | WO | disclosed |