Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.54 |
| ▸ | TMEM97 | Q5BJF2 | 3/20 | 0.54 |
| ▸ | DRD4 | P21917 | 3/20 | 0.54 |
| ▸ | HTR1A | P08908 | 2/20 | 0.54 |
| ▸ | HTR2C | P28335 | 2/20 | 0.54 |
| ▸ | HTR2B | P41595 | 2/20 | 0.54 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.54 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.54 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.54 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.54 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.54 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.54 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.54 |
| ▸ | HTR5A | P47898 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL31014028 | 0.90 | ABCB1 (0.49) | SIGMAR1TMEM97DRD4HTR1AHTR2C | |
| SCHEMBL25592789 | 0.80 | SIGMAR1 (0.41) | SIGMAR1TMEM97DRD4HTR1AHTR2C | |
| SCHEMBL19358129 | 0.80 | KDM4E (0.46) | ALDH1A1MAPTLMNAKDM4EKMT2A | |
| SCHEMBL3693352 | 0.80 | SIGMAR1 (0.75) | SIGMAR1TMEM97DRD4HTR1AHTR2C | |
| SCHEMBL16593588 | 0.78 | PTGER4 (0.57) | SIGMAR1TMEM97DRD4HTR1AHTR2C | |
| SCHEMBL18356020 | 0.78 | SIGMAR1 (0.51) | SIGMAR1TMEM97DRD4HTR1AHTR2C | |
| SCHEMBL19357796 | 0.77 | HDAC1 (0.44) | ALDH1A1MAPTLMNAKDM4EMAPK1 | |
| SCHEMBL629986 | 0.76 | SIGMAR1 (0.46) | SIGMAR1TMEM97DRD4HTR1AHTR2C | |
| SCHEMBL30550496 | 0.75 | ALDH1A1 (0.32) | ALDH1A1 | |
| SCHEMBL5449836 | 0.75 | HTR1A (0.54) | SIGMAR1TMEM97DRD4HTR1AHTR2C |
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-116514771-A | Carboxylic acid compound, preparation method thereof and application thereof in medicine | 江苏恒瑞医药股份有限公司 | 2023-08-01 | — | — | CN | disclosed |