Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | HTR2C | P28335 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 2/20 | 0.39 |
| ▸ | MAOB | P27338 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.38 |
| ▸ | HTR3B | O95264 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | THPO | P40225 | 1/20 | 0.38 |
| ▸ | HTR3A | P46098 | 1/20 | 0.38 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.38 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 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 | |
|---|---|---|---|---|
| SCHEMBL17624437 | 0.89 | HRH4 (0.46) | HRH4NPSR1GAAKMT2AKDM4E | |
| SCHEMBL19674675 | 0.85 | HTR2C (0.48) | HRH4HTR2AHTR2CCYP2C9CYP2C19 | |
| SCHEMBL19498194 | 0.77 | GAA (0.43) | HRH4NPSR1HTR2AHTR2CGAA | |
| SCHEMBL4009586 | 0.76 | HTR2C (0.63) | HTR2AHTR2CGAAKDM4EALDH1A1 | |
| SCHEMBL24920531 | 0.75 | HSP90AB1 (0.56) | KMT2AKDM4EALDH1A1CYP1A2LMNA | |
| SCHEMBL19504487 | 0.75 | HRH3 (0.40) | HRH4NPSR1GAAKMT2AKDM4E | |
| SCHEMBL7006047 | 0.75 | ALDH1A1 (0.45) | NPSR1HTR2AHTR2CGAAKDM4E | |
| SCHEMBL2913307 | 0.75 | TMEM97 (0.60) | KMT2AMEN1LMNAMAPTTDP1 | |
| SCHEMBL2911347 | 0.75 | HTR2C (0.54) | HTR2AHTR2CGAAHTTSMN1; SMN2 | |
| SCHEMBL17624444 | 0.74 | HTR2A (0.45) | HRH4HTR2AHTR2CKDM4EALDH1A1 |
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-3252059-A1 | ANTI-PULMONARY TUBERCULOSIS NITROIMIDAZOLE DERIVATIVE | Medshine Discovery Inc. (CN) | 2017-12-06 | — | — | EP | disclosed |