Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.71 |
| ▸ | LMNA | P02545 | 2/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.59 |
| ▸ | NPC1 | O15118 | 1/20 | 0.59 |
| ▸ | GPR139 | Q6DWJ6 | 5/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.56 |
| ▸ | MEN1 | O00255 | 2/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.56 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.56 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.56 |
| ▸ | GAA | P10253 | 1/20 | 0.56 |
| ▸ | PKM | P14618 | 1/20 | 0.56 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.54 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.54 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.54 |
| ▸ | CDK1 | P06493 | 1/20 | 0.54 |
| ▸ | CSF1R | P07333 | 1/20 | 0.54 |
| ▸ | PRKACA | P17612 | 1/20 | 0.54 |
| ▸ | FLT1 | P17948 | 1/20 | 0.54 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL13229107 | 0.89 | ALDH1A1 (0.73) | ALDH1A1LMNASMN1; SMN2NPC1GPR139 | |
| SCHEMBL3345042 | 0.86 | ALDH1A1 (0.69) | ALDH1A1LMNASMN1; SMN2NPC1GPR139 | |
| SCHEMBL3646228 | 0.86 | ALDH1A1 (0.69) | ALDH1A1LMNASMN1; SMN2NPC1GPR139 | |
| SCHEMBL3508505 | 0.86 | ALDH1A1 (0.69) | ALDH1A1LMNASMN1; SMN2NPC1GPR139 | |
| SCHEMBL3351175 | 0.86 | ALDH1A1 (0.69) | ALDH1A1LMNASMN1; SMN2NPC1GPR139 | |
| SCHEMBL13229106 | 0.85 | ALDH1A1 (0.68) | ALDH1A1LMNASMN1; SMN2NPC1GPR139 | |
| SCHEMBL5968858 | 0.85 | ALDH1A1 (0.77) | ALDH1A1LMNASMN1; SMN2NPC1GPR139 | |
| SCHEMBL1101522 | 0.85 | ALDH1A1 (0.77) | ALDH1A1LMNASMN1; SMN2NPC1GPR139 | |
| SCHEMBL751213 | 0.85 | ALDH1A1 (0.77) | ALDH1A1LMNASMN1; SMN2NPC1GPR139 | |
| SCHEMBL8547159 | 0.83 | ALDH1A1 (1.00) | ALDH1A1LMNASMN1; SMN2NPC1GPR139 |
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-2023004291-A1 | CORONAVIRUS MAIN PROTEASE INHIBITORS AND METHODS USING SAME | BAYLOR COLLEGE OF MEDICINE (US) | 2023-01-26 | — | — | WO | disclosed |