Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNN4 | O15554 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 6/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | HTR2A | P28223 | 2/20 | 0.38 |
| ▸ | HTR2C | P28335 | 2/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | KCNA3 | P22001 | 2/20 | 0.35 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.34 |
| ▸ | CA2 | P00918 | 2/20 | 0.34 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.34 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6683028 | 0.84 | KCNN4 (0.46) | KCNN4TSHRLMNAHTR2AHTR2C | |
| SCHEMBL78489 | 0.81 | TSHR (0.50) | KCNN4TSHRLMNAHTR2AHTR2C | |
| SCHEMBL7571745 | 0.81 | KCNN4 (0.48) | KCNN4TSHRLMNAHTR2AHTR2C | |
| SCHEMBL197704 | 0.80 | TSHR (0.53) | KCNN4TSHRLMNAHTR2AHTR2C | |
| SCHEMBL29617470 | 0.80 | TSHR (0.53) | KCNN4TSHRLMNAHTR2AHTR2C | |
| SCHEMBL27641406 | 0.80 | KCNN4 (0.43) | KCNN4TSHRLMNAHTR2AHTR2C | |
| SCHEMBL6683582 | 0.79 | KCNN4 (0.46) | KCNN4TSHRLMNAHTR2AHTR2C | |
| Benzene SCHEMBL28296949 | 0.79 | KCNN4 (0.52) | KCNN4TSHRLMNAHTR2AHTR2C | |
| Fluoride SCHEMBL11730018 | 0.78 | TSHR (0.50) | KCNN4TSHRLMNAHTR2AHTR2C | |
| SCHEMBL4475144 | 0.78 | TSHR (0.50) | KCNN4TSHRLMNAHTR2AHTR2C |
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 |
|---|---|---|---|---|---|---|---|
| CN-115003684-A | Isotopically labeled selective CXCR4 binding peptide conjugates and methods of making and using same | 主线生物科学有限公司 | 2022-09-02 | — | — | CN | claimed |
| CN-115003684-A | Isotopically labeled selective CXCR4 binding peptide conjugates and methods of making and using same | 主线生物科学有限公司 | 2022-09-02 | — | — | CN | disclosed |