Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.34 |
| ▸ | GABRR1 | P24046 | 2/20 | 0.33 |
| ▸ | MMP2 | P08253 | 3/20 | 0.32 |
| ▸ | MMP9 | P14780 | 3/20 | 0.32 |
| ▸ | MMP13 | P45452 | 3/20 | 0.32 |
| ▸ | MMP3 | P08254 | 2/20 | 0.32 |
| ▸ | MMP1 | P03956 | 1/20 | 0.32 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | MMP8 | P22894 | 2/20 | 0.32 |
| ▸ | MMP12 | P39900 | 1/20 | 0.31 |
| ▸ | MMP14 | P50281 | 1/20 | 0.31 |
| ▸ | MMP16 | P51512 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.31 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
| ▸ | HRH1 | P35367 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL17773057 | 0.84 | TP53 (0.36) | TP53CHRM1AKR1A1CHRM3HTR2A | |
| SCHEMBL4962362 | 0.80 | MMP2 (0.33) | ADAMTS4GABRR1MMP2MMP9MMP13 | |
| SCHEMBL360546 | 0.80 | MMP2 (0.33) | ADAMTS4GABRR1MMP2MMP9MMP13 | |
| SCHEMBL6115439 | 0.78 | MEN1 (0.33) | — | |
| Bicarbonate SCHEMBL27506741 | 0.78 | FFAR3 (0.35) | TP53CHRM1AKR1A1CHRM3HTR2A | |
| SCHEMBL172217 | 0.76 | HTR2A (0.39) | ADAMTS4GABRR1MMP2MMP3MMP1 | |
| SCHEMBL21414358 | 0.76 | FFAR3 (0.36) | GABRR1SLC7A5TP53CHRM1AKR1A1 | |
| SCHEMBL4936639 | 0.76 | HTR2A (0.39) | ADAMTS4GABRR1MMP2MMP3MMP1 | |
| SCHEMBL755800 | 0.76 | HTR2A (0.39) | ADAMTS4GABRR1MMP2MMP3MMP1 | |
| Acetic Acid SCHEMBL1033681 | 0.75 | FFAR3 (0.39) | TP53CHRM1AKR1A1CHRM3HTR2A |
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-3804725-A2 | NANOMATERIAL COMPOSITIONS, SYNTHESIS, AND ASSEMBLY | Rhode Island Hospital (US) | 2021-04-14 | — | — | EP | disclosed |