Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 10/20 | 0.48 |
| ▸ | HTR2C | P28335 | 6/20 | 0.48 |
| ▸ | HTR2A | P28223 | 6/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | RAD52 | P43351 | 1/20 | 0.48 |
| ▸ | DAO | P14920 | 1/20 | 0.45 |
| ▸ | DDO | Q99489 | 1/20 | 0.45 |
| ▸ | CDK9 | P50750 | 7/20 | 0.44 |
| ▸ | CCNT1 | O60563 | 6/20 | 0.44 |
| ▸ | HTR7 | P34969 | 4/20 | 0.42 |
| ▸ | HTR1B | P28222 | 1/20 | 0.41 |
| ▸ | HTR3A | P46098 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8019064 | 0.86 | HTR6 (0.40) | HTR6HTR2CHTR2AMAPTKDM4E | |
| SCHEMBL5138986 | 0.73 | SIGMAR1 (0.51) | HTR6HTR2CHTR2AMAPTKDM4E | |
| SCHEMBL8819830 | 0.72 | HTR6 (0.43) | HTR6HTR2CHTR2AMAPTKDM4E | |
| SCHEMBL7859749 | 0.72 | HTR6 (0.45) | HTR6HTR2CHTR2AMAPTKDM4E | |
| SCHEMBL6629475 | 0.68 | ALDH1A1 (0.57) | HTR6HTR2CMAPTKDM4EALDH1A1 | |
| SCHEMBL14531557 | 0.67 | DAO (0.60) | MAPTKDM4EALDH1A1GAAHTT | |
| SCHEMBL20125059 | 0.67 | DAO (0.60) | HTR6MAPTKDM4EALDH1A1HTT | |
| SCHEMBL27017825 | 0.66 | DAO (0.55) | HTR6MAPTKDM4EALDH1A1GAA | |
| SCHEMBL8820703 | 0.66 | SIGMAR1 (0.42) | HTR6HTR2CHTR2AMAPTKDM4E | |
| SCHEMBL7215824 | 0.65 | HTR6 (1.00) | HTR6HTR2CHTR2AMAPTKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-1077213-A2 | Inhibition of serotonin reuptake | ELI LILLY AND COMPANY (US) | 2001-02-21 | — | — | EP | disclosed |
| EP-0812826-A1 | 1H-indole and benzo(b)thiophene derivatives with 4-(1,2,3,6-tetra:hydro:pyridinyl)- and 4-piperidinyl-groups bound to the heterocyclic ring as inhibitors of serotonin reuptake | ELI LILLY AND COMPANY (US) | 1997-12-17 | — | — | EP | disclosed |