Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.49 |
| ▸ | PKM | P14618 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | TOP2A | P11388 | 1/20 | 0.40 |
| ▸ | TOP2B | Q02880 | 1/20 | 0.40 |
| ▸ | ABL1 | P00519 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL17844798 | 0.82 | LMNA (0.47) | CYP1A2CYP2C19ACHELMNAKMT2A | |
| SCHEMBL31349241 | 0.80 | BLM (0.56) | GAAMEN1KMT2AHTTTSHR | |
| SCHEMBL29194826 | 0.77 | ACHE (0.40) | ALDH1A1GAAHPGDCYP1A2CYP2C19 | |
| SCHEMBL1679243 | 0.76 | AKR1C3 (0.55) | ALDH1A1PKMGAAHPGDCYP1A2 | |
| SCHEMBL5823639 | 0.75 | ALOX5 (0.51) | ALDH1A1HPGDCYP1A2CYP2D6MEN1 | |
| SCHEMBL20969733 | 0.75 | HTR2A (0.46) | ALDH1A1PKMGAAMEN1LMNA | |
| SCHEMBL21612915 | 0.75 | ALOX5 (0.51) | ALDH1A1HPGDCYP1A2CYP2D6MEN1 | |
| SCHEMBL15210443 | 0.75 | HTR2A (0.46) | ALDH1A1PKMGAAMEN1LMNA | |
| SCHEMBL15192487 | 0.75 | ALDH1A1 (0.50) | ALDH1A1PKMGAAHPGDCYP1A2 | |
| SCHEMBL29140774 | 0.75 | ALOX5 (0.51) | ALDH1A1HPGDCYP1A2CYP2D6MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-113493438-B | Tetrahydroisoquinoline compounds | 南京再明医药有限公司 | 2023-10-20 | — | — | CN | disclosed |