Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 1/20 | 0.61 |
| ▸ | HTR7 | P34969 | 2/20 | 0.53 |
| ▸ | HTR2A | P28223 | 7/20 | 0.50 |
| ▸ | HTR2C | P28335 | 5/20 | 0.50 |
| ▸ | DRD2 | P14416 | 5/20 | 0.49 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.43 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.43 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.43 |
| ▸ | DRD4 | P21917 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | HTR6 | P50406 | 1/20 | 0.39 |
| ▸ | CCR3 | P51677 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11679502 | 0.84 | HTT (0.54) | HTR7HTR2AHTR2CDRD2CHRNA4 | |
| SCHEMBL3886866 | 0.75 | HTR6 (0.63) | BCHEHTR7HTR2AHTR2CCHRNA7 | |
| SCHEMBL9026523 | 0.75 | HTR2A (0.66) | BCHEHTR2AHTR2CDRD2CHRNA7 | |
| SCHEMBL14193990 | 0.75 | CHRNB2 (0.64) | BCHEHTR2AHTR2CCHRNA7CHRNB2 | |
| SCHEMBL6882102 | 0.74 | HTT (0.55) | BCHEHTR2AHTR2CDRD2CHRNA7 | |
| SCHEMBL11680166 | 0.74 | BCHE (0.48) | BCHEHTR7HTR2AHTR2CDRD2 | |
| SCHEMBL20145432 | 0.74 | BCHE (0.53) | BCHEHTR7HTR2AHTR2CDRD2 | |
| Hydrochloric Acid SCHEMBL275390 | 0.74 | HTR6 (0.61) | BCHEHTR7HTR2AHTR2CCHRNA7 | |
| SCHEMBL9027033 | 0.73 | HTR2A (0.65) | BCHEHTR2AHTR2CDRD2CHRNA7 | |
| Water SCHEMBL11540986 | 0.73 | HTT (0.53) | BCHEHTR2AHTR2CDRD2CHRNA7 |
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 |
|---|---|---|---|---|---|---|---|
| US-4024258-A | Composition of and method for reducing hypertension with a 1-[1-(indol-3-ylethyl)-piperazin-4-yl]-3-substituted urea | AMERICAN HOECHST CORPORATION (US) | 1977-05-17 | — | — | US | disclosed |
| US-3948918-A | HYPOTENSIVE | AMERICAN HOECHST CORPORATION (US) | 1976-04-06 | — | — | US | disclosed |