Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | CSNK2A1 | P68400 | 2/20 | 0.41 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.40 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.40 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.39 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | RORC | P51449 | 2/20 | 0.37 |
| ▸ | GRM5 | P41594 | 1/20 | 0.36 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.36 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.36 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.36 |
| ▸ | ELANE | P08246 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL19612313 | 0.84 | MCHR1 (0.46) | ALDH1A1MCHR1IRAK4MAPTCA1 | |
| SCHEMBL900625 | 0.82 | ALDH1A1 (0.45) | ALDH1A1P2RX7MRGPRX4LMNAMAPT | |
| SCHEMBL7468633 | 0.81 | SLC6A4 (0.46) | ALDH1A1CSNK2A1P2RX7MCHR1IRAK4 | |
| SCHEMBL220092 | 0.80 | ADRA2A (0.49) | ALDH1A1CSNK2A1IRAK4LMNAMAPT | |
| SCHEMBL30587766 | 0.80 | ADRA2A (0.49) | ALDH1A1CSNK2A1IRAK4LMNAMAPT | |
| SCHEMBL12290694 | 0.80 | MRGPRX4 (0.38) | ALDH1A1MRGPRX4MAPTEPAS1 | |
| SCHEMBL19612291 | 0.79 | CSNK2A1 (0.41) | ALDH1A1CSNK2A1P2RX7MCHR1IRAK4 | |
| SCHEMBL3720870 | 0.78 | MAPT (0.47) | ALDH1A1MCHR1IRAK4KDM4EMAPT | |
| SCHEMBL6739130 | 0.78 | KMT2A (0.56) | ALDH1A1MRGPRX4KDM4E | |
| SCHEMBL31069147 | 0.78 | KMT2A (0.56) | ALDH1A1MRGPRX4KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023154282-A1 | COMPOUNDS HAVING A T-STRUCTURE FORMED BY AT LEAST FOUR CYCLES FOR USE IN THE TREATMENT OF CANCER AND OTHER INDICATIONS | THERAS, INC. (US) | 2023-08-17 | — | — | WO | disclosed |
| EP-1044980-A1 | PROCESS FOR PRODUCING TOLUENE DERIVATIVES | Ihara Chemical Industry Co., Ltd. (JP) | 2000-10-18 | — | — | EP | disclosed |