Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1D | P28221 | 6/20 | 0.68 |
| ▸ | HTR1B | P28222 | 4/20 | 0.55 |
| ▸ | POLB | P06746 | 2/20 | 0.52 |
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | HTR1A | P08908 | 2/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.42 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.42 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.42 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | HTR2C | P28335 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3622094 | 0.85 | HTR1D (0.57) | HTR1DHTR1BPOLBTSHRHTR1A | |
| SCHEMBL111999 | 0.76 | HRH3 (0.40) | HTR1DHTR1BTSHRLMNAHRH3 | |
| SCHEMBL14959898 | 0.75 | HTR1D (0.56) | HTR1DHTR1BPOLBTSHRHTR1A | |
| SCHEMBL11221925 | 0.75 | HTR1D (0.56) | HTR1DHTR1BPOLBTSHRHTR1A | |
| SCHEMBL2989162 | 0.75 | HTR1D (0.56) | HTR1DHTR1BPOLBTSHRHTR1A | |
| SCHEMBL11441560 | 0.75 | HTR1D (0.56) | HTR1DHTR1BPOLBTSHRHTR1A | |
| SCHEMBL15874052 | 0.74 | HTR1D (0.38) | HTR1DHTR2AHRH3 | |
| Hydrochloric Acid SCHEMBL7894748 | 0.74 | LMNA (0.42) | HTR1DHTR1BTSHRLMNAHRH3 | |
| SCHEMBL17442579 | 0.74 | ALDH1A1 (0.43) | HTR1DTSHRLMNATP53MAPK1 | |
| SCHEMBL27430698 | 0.73 | HTR1D (0.44) | HTR1DHTR1BPOLB |
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-4312861-A | Pharmaceutical compositions containing N-alkyl-N-(nuclearly-substituted) benzylamines having vasotonia-regulating activity | HOECHST AKTIENGESELLSCHAFT (DE) | 1982-01-26 | — | — | US | disclosed |