Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.43 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.43 |
| ▸ | F10 | P00742 | 2/20 | 0.43 |
| ▸ | ERN1 | O75460 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | PHGDH | O43175 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.37 |
| ▸ | AKR1C3 | P42330 | 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 | |
|---|---|---|---|---|
| SCHEMBL31428753 | 0.84 | PKM (0.55) | ALDH1A1ERN1TSHRPKMPHGDH | |
| SCHEMBL19832853 | 0.73 | MGLL (0.41) | ALDH1A1F10TSHRSMN1; SMN2PKM | |
| SCHEMBL24975798 | 0.72 | ALDH1A1 (0.38) | ALDH1A1F10TSHRSMN1; SMN2PKM | |
| SCHEMBL1688379 | 0.72 | ALDH3A1 (0.56) | ALDH1A1ALDH3A1ALDH1A3TSHRSMN1; SMN2 | |
| SCHEMBL1662915 | 0.71 | PHGDH (0.65) | ALDH1A1ERN1TSHRSMN1; SMN2PKM | |
| SCHEMBL24977250 | 0.70 | SMN1; SMN2 (0.47) | ALDH1A1F10TSHRSMN1; SMN2PHGDH | |
| Dioxane SCHEMBL12004584 | 0.69 | ALDH5A1 (0.47) | ALDH1A1ALDH3A1ALDH1A3TSHRCYP1A2 | |
| SCHEMBL8495017 | 0.69 | MAPT (0.51) | ALDH1A1F10TSHRSMN1; SMN2PKM | |
| Hydrochloric Acid SCHEMBL11299172 | 0.69 | RAB9A (0.41) | ALDH1A1F10TSHRSMN1; SMN2PKM | |
| 2-Naphthaldehyde SCHEMBL12004069 | 0.69 | RELA (0.47) | ALDH1A1ALDH3A1ALDH1A3SMN1; SMN2 |
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-2023008577-A1 | RAS/RAF BINDING INHIBITOR COMPOUND | 国立大学法人神戸大学 | 2023-02-02 | — | — | WO | disclosed |