Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR3 | P49682 | 1/20 | 0.45 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.44 |
| ▸ | USP2 | O75604 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | HTR7 | P34969 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | HTR2B | P41595 | 1/20 | 0.38 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | CCR3 | P51677 | 1/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.35 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.35 |
| ▸ | MCHR1 | Q99705 | 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 | |
|---|---|---|---|---|
| SCHEMBL28099148 | 0.83 | CXCR3 (0.52) | CXCR3ADRA1ADRD2NOTUMATM | |
| SCHEMBL2573737 | 0.77 | ADRA1A (0.52) | CXCR3ADRA1AHRH3NOTUMCCR3 | |
| SCHEMBL2566859 | 0.76 | HRH3 (0.47) | CXCR3ADRA1AHRH3HTR1ADRD2 | |
| Hydrochloric Acid SCHEMBL16835560 | 0.75 | HRH3 (0.46) | CXCR3ADRA1AHRH3HTR1ADRD2 | |
| SCHEMBL3768604 | 0.73 | ESR2 (0.53) | ADRA1AHRH3 | |
| SCHEMBL20220596 | 0.73 | ADRA1A (0.51) | ADRA1AHRH3 | |
| SCHEMBL26962886 | 0.72 | CXCR3 (0.50) | CXCR3DRD2 | |
| SCHEMBL18186148 | 0.72 | ADRA1A (0.52) | CXCR3ADRA1AHRH3NOTUMADRA2C | |
| SCHEMBL30658411 | 0.72 | L3MBTL3 (0.53) | CXCR3ADRA1AHRH3HTR1ADRD2 | |
| SCHEMBL27227669 | 0.72 | L3MBTL3 (0.53) | CXCR3ADRA1AHRH3HTR1ADRD2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105980374-A | Substituted piperidinyl-tetrahydroquinolines | 拜耳制药股份公司 | 2016-09-28 | — | — | CN | disclosed |