Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.50 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.49 |
| ▸ | HTR2C | P28335 | 6/20 | 0.48 |
| ▸ | HTR2B | P41595 | 5/20 | 0.48 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 2/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.41 |
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6588816 | 0.91 | SLC18A3 (0.51) | SLC18A3TAAR1HTR2CHTR2BSLC6A4 | |
| SCHEMBL29501341 | 0.90 | SLC18A3 (0.53) | SLC18A3TAAR1HTR2CHTR2BSLC6A4 | |
| SCHEMBL2657988 | 0.90 | SLC18A3 (0.53) | SLC18A3TAAR1HTR2CHTR2BSLC6A4 | |
| Hydrochloric Acid SCHEMBL5271851 | 0.89 | SLC18A3 (0.51) | SLC18A3TAAR1HTR2CHTR2BSLC6A4 | |
| Hydrochloric Acid SCHEMBL16835555 | 0.89 | SLC18A3 (0.51) | SLC18A3TAAR1HTR2CHTR2BSLC6A4 | |
| Bromide SCHEMBL6423364 | 0.89 | SLC18A3 (0.51) | SLC18A3TAAR1HTR2CHTR2BSLC6A4 | |
| Hydrochloric Acid SCHEMBL29877056 | 0.89 | SLC18A3 (0.51) | SLC18A3TAAR1HTR2CHTR2BSLC6A4 | |
| SCHEMBL14069048 | 0.88 | HTR2C (0.46) | SLC18A3TAAR1HTR2CHTR2BHTR2A | |
| SCHEMBL29501431 | 0.84 | SLC18A3 (0.51) | SLC18A3HTR2CHTR2BSLC6A4SLC6A2 | |
| SCHEMBL22432705 | 0.84 | SLC18A3 (0.51) | SLC18A3HTR2CHTR2BSLC6A4SLC6A2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022048631-A1 | COMPOUND HAVING ANTITUMOR ACTIVITY AND USE THEREOF | 上海翊石医药科技有限公司 | 2022-03-10 | — | — | WO | disclosed |