Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 6/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ATP2A2 | P16615 | 1/20 | 0.42 |
| ▸ | ATP2A3 | Q93084 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 4/20 | 0.38 |
| ▸ | TSHR | P16473 | 4/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.38 |
| ▸ | TYR | P14679 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.35 |
| ▸ | LMNA | P02545 | 4/20 | 0.35 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.35 |
| ▸ | MIF | P14174 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL21451349 | 0.83 | CA2 (0.35) | ALDH1A1ALOX15SMN1; SMN2CYP1A2MAPT | |
| SCHEMBL13888748 | 0.77 | — | — | |
| SCHEMBL11955173 | 0.76 | GABRA1 (0.32) | ALDH1A1SMN1; SMN2CYP1A2CA2TYR | |
| SCHEMBL6627066 | 0.75 | — | — | |
| SCHEMBL16072965 | 0.73 | TP53 (0.36) | SMN1; SMN2CYP2C9TP53HIF1ACYP2C19 | |
| SCHEMBL14868405 | 0.73 | ALDH1A1 (0.48) | ALDH1A1ALOX15SMN1; SMN2CYP1A2MAPT | |
| SCHEMBL18501253 | 0.73 | CYP11B1 (0.30) | CYP3A4 | |
| SCHEMBL20457094 | 0.73 | CYP11B1 (0.33) | HSD17B10HPGD | |
| SCHEMBL20865388 | 0.72 | PDXK (0.35) | ALDH1A1SMN1; SMN2KDM4ECA2TYR | |
| SCHEMBL13920213 | 0.70 | ALDH1A1 (0.38) | ALDH1A1ALOX15SMN1; SMN2CYP1A2MAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-4400497-A1 | 3CLPRO PROTEASE INHIBITOR | Shanghai Qilu Pharmaceutical Research and Development Centre Ltd. (CN) | 2024-07-17 | — | — | EP | disclosed |