Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | DHFR | P00374 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 2/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | DRD1 | P21728 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11097240 | 0.82 | TSHR (0.43) | TP53ESR1TSHRALDH1A1GLA | |
| SCHEMBL11099248 | 0.74 | TSHR (0.50) | ESR1TSHRALDH1A1GLASLC6A2 | |
| SCHEMBL411733 | 0.72 | TSHR (0.52) | TP53ESR1TSHRALDH1A1GLA | |
| SCHEMBL158097 | 0.72 | MTNR1A (0.48) | TP53ESR1TSHRALDH1A1GLA | |
| SCHEMBL8760943 | 0.71 | ESR1 (0.38) | ESR1TSHRALDH1A1 | |
| Hydrochloric Acid SCHEMBL10684893 | 0.70 | MTNR1A (0.47) | TP53ESR1TSHRALDH1A1GLA | |
| SCHEMBL7153293 | 0.70 | MTNR1A (0.47) | TP53ESR1TSHRALDH1A1GLA | |
| SCHEMBL12833638 | 0.70 | TP53 (0.44) | TP53ESR1TSHRALDH1A1GLA | |
| Hydrochloric Acid SCHEMBL2142184 | 0.70 | TSHR (0.50) | TP53ESR1TSHRALDH1A1GLA | |
| SCHEMBL96435 | 0.70 | HTR1A (0.48) | TP53ESR1TSHRALDH1A1GLA |
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 |
|---|---|---|---|---|---|---|---|
| US-4722987-A | USING DISILAZANE OR SILYL AMINE COMPOUND TO NEUTRALIZE ACID CATALYST | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1988-02-02 | — | — | US | disclosed |