Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | BTN3A1 | O00481 | 8/20 | 0.41 |
| ▸ | ELANE | P08246 | 3/20 | 0.37 |
| ▸ | ENO1 | P06733 | 1/20 | 0.36 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | BCHE | P06276 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL10379906 | 0.85 | ALDH1A1 (0.50) | ALDH1A1BTN3A1ELANEENO1 | |
| SCHEMBL16069998 | 0.79 | ALDH1A1 (0.45) | ALDH1A1BTN3A1ELANEENO1 | |
| SCHEMBL16069996 | 0.79 | ALDH1A1 (0.45) | ALDH1A1BTN3A1ELANEENO1 | |
| SCHEMBL16069997 | 0.79 | ALDH1A1 (0.45) | ALDH1A1BTN3A1ELANEENO1 | |
| SCHEMBL10378800 | 0.76 | BTN3A1 (0.50) | ALDH1A1BTN3A1ELANEENO1CYP3A4 | |
| SCHEMBL20710737 | 0.73 | CA2 (0.60) | ALDH1A1CA1CA2BCHEACHE | |
| SCHEMBL13141363 | 0.71 | BTN3A1 (0.46) | ALDH1A1BTN3A1ENO1 | |
| SCHEMBL14274522 | 0.70 | CA1 (0.45) | ALDH1A1CA1CA2 | |
| SCHEMBL6551411 | 0.70 | CYP3A4 (0.58) | ALDH1A1CA1CA2BCHEACHE | |
| SCHEMBL28016471 | 0.70 | TSHR (0.50) | ALDH1A1BTN3A1ENO1CYP3A4TSHR |
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-2023131333-A1 | BENZIMIDAZOLE COMPOUND AND MEDICAL USE THEREOF | 中国科学院上海药物研究所 | 2023-07-13 | — | — | WO | disclosed |