Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | RAB9A | P51151 | 5/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | NPC1 | O15118 | 4/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.43 |
| ▸ | RELA | Q04206 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | MITF | O75030 | 1/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 3/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL19663955 | 0.82 | RAB9A (0.50) | TSHRTP53ALDH1A1RAB9AKDM4E | |
| SCHEMBL1086165 | 0.77 | ALDH1A1 (0.56) | TSHRTP53ALDH1A1RAB9AKDM4E | |
| SCHEMBL15962020 | 0.76 | ALDH1A1 (0.46) | TSHRTP53ALDH1A1RAB9AKDM4E | |
| SCHEMBL29143438 | 0.76 | ALDH1A1 (0.46) | TSHRTP53ALDH1A1RAB9AKDM4E | |
| SCHEMBL16771272 | 0.75 | TSHR (0.67) | TSHRTP53ALDH1A1SMN1; SMN2SRD5A2 | |
| SCHEMBL8728283 | 0.75 | TSHR (0.52) | TSHRTP53ALDH1A1RAB9AKDM4E | |
| SCHEMBL1086084 | 0.75 | ALDH1A1 (0.54) | TSHRTP53ALDH1A1RAB9AKDM4E | |
| SCHEMBL23176388 | 0.74 | RAB9A (0.51) | TP53ALDH1A1RAB9AKDM4ENPC1 | |
| SCHEMBL8168371 | 0.73 | TSHR (0.63) | TSHRTP53ALDH1A1SMN1; SMN2SRD5A2 | |
| Terephthalic Acid SCHEMBL5014892 | 0.72 | TSHR (0.92) | TSHRTP53ALDH1A1SMN1; SMN2SRD5A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2956437-B1 | ALBICIDIN DERIVATIVES FOR THE TREATMENT OF BACTERIAL INFECTIONS | UNIV BERLIN TECH (DE) | 2023-05-10 | — | — | EP | disclosed |