Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 3/20 | 0.41 |
| ▸ | HTR4 | Q13639 | 8/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 5/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 2/20 | 0.39 |
| ▸ | DRD4 | P21917 | 2/20 | 0.39 |
| ▸ | DRD3 | P35462 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL27997528 | 0.97 | HTR4 (0.42) | CCR5HTR4MEN1KMT2AADORA2B | |
| SCHEMBL28076538 | 0.91 | HTR4 (0.44) | HTR4MEN1KMT2AACHEALDH1A1 | |
| SCHEMBL27997728 | 0.87 | HTR4 (0.46) | HTR4MEN1KMT2AACHEALDH1A1 | |
| SCHEMBL28076702 | 0.87 | MCHR1 (0.49) | CCR5MEN1KMT2AHTR1ASLC6A4 | |
| SCHEMBL27997732 | 0.87 | SLC6A4 (0.41) | CCR5HTR4MEN1KMT2ASLC6A4 | |
| SCHEMBL27997523 | 0.86 | HTR4 (0.45) | HTR4MEN1KMT2AACHEALDH1A1 | |
| SCHEMBL28076706 | 0.86 | ACHE (0.43) | HTR4MEN1KMT2AACHEALDH1A1 | |
| SCHEMBL28076703 | 0.85 | SLC6A2 (0.47) | HTR4MEN1KMT2AHTR1ASLC6A4 | |
| SCHEMBL27997741 | 0.84 | HTR4 (0.42) | HTR4MEN1KMT2AHTR1AACHE | |
| SCHEMBL28076765 | 0.83 | HTR1A (0.52) | CCR5MEN1KMT2AHTR1ASLC6A4 |
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-103980184-B | Piperidine compounds, medical composition and its use containing this compound | 爱思开生物制药株式会社 | 2016-08-24 | — | — | CN | claimed |