Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | APLNR | P35414 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.32 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.32 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.32 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL404506 | 1.00 | ATM (0.42) | ATMALDH1A1APLNRMAPTPIK3CD | |
| SCHEMBL12440677 | 0.86 | ALDH1A1 (0.41) | ATMALDH1A1APLNRMAPTPOLB | |
| SCHEMBL5909381 | 0.86 | ALDH1A1 (0.41) | ATMALDH1A1APLNRMAPTPOLB | |
| SCHEMBL689995 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL14677609 | 0.79 | — | — | |
| SCHEMBL89463 | 0.78 | ALDH1A1 (0.37) | ATMALDH1A1APLNRMAPTPOLB | |
| SCHEMBL18566781 | 0.78 | BRD4 (0.44) | ALDH1A1MAPTSMN1; SMN2CYP2C19 | |
| SCHEMBL8320708 | 0.75 | — | — | |
| SCHEMBL12439734 | 0.75 | — | — | |
| SCHEMBL854100 | 0.75 | — | — |
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-2022250170-A9 | SMALL MOLECULE INHIBITORS OF KRAS MUTATED PROTEINS | TAIHO PHARMACEUTICAL CO., LTD. (JP) | 2023-01-05 | — | — | WO | disclosed |
| EP-3597649-B1 | COMPOSITIONS CONTAINING SUBSTITUTED [1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL COMPOUNDS AS PDE2 INHIBITORS | DART NEUROSCIENCE CAYMAN LTD (KY) | 2021-10-13 | — | — | EP | disclosed |