Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.57 |
| ▸ | ATM | Q13315 | 2/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | PPARG | P37231 | 1/20 | 0.53 |
| ▸ | PPARD | Q03181 | 1/20 | 0.53 |
| ▸ | PPARA | Q07869 | 1/20 | 0.53 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.51 |
| ▸ | LDHA | P00338 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | BLM | P54132 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL27618225 | 0.86 | PTGS1 (0.63) | ALDH1A1LDHAPOLBCYP3A4KMT2A | |
| SCHEMBL28711862 | 0.86 | ALDH1A1 (0.58) | ALDH1A1CYP3A4GAA | |
| SCHEMBL28348143 | 0.86 | CA2 (0.53) | CA2ATMKDM4EALDH1A1PPARG | |
| SCHEMBL9497620 | 0.85 | ALDH1A1 (0.54) | KDM4EALDH1A1PPARGPPARDPPARA | |
| SCHEMBL19198178 | 0.84 | ALDH1A1 (0.41) | CA2ATMKDM4EALDH1A1PPARG | |
| SCHEMBL25328932 | 0.83 | CA2 (0.40) | CA2ATMKDM4EALDH1A1PPARG | |
| Butane SCHEMBL21768001 | 0.82 | CA2 (0.49) | CA2ATMKDM4EALDH1A1PPARG | |
| SCHEMBL28917336 | 0.79 | ALDH1A1 (0.46) | ALDH1A1CYP1A2CYP3A4CYP2D6GAA | |
| SCHEMBL318036 | 0.78 | CA2 (0.68) | CA2ATMKDM4EALDH1A1PPARG | |
| SCHEMBL291363 | 0.78 | CA2 (0.68) | CA2ATMKDM4EALDH1A1PPARG |
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 |
|---|---|---|---|---|---|---|---|
| CN-110573147-B | Pharmaceutical composition comprising NM23 activator for inhibiting cancer metastasis | 梨花女子大学产学协力团 | 2023-06-13 | — | — | CN | disclosed |
| CN-110573147-A | Pharmaceutical composition comprising NM23 activator for inhibiting cancer metastasis | 梨花女子大学产学协力团 | 2019-12-13 | — | — | CN | disclosed |