Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.79 |
| ▸ | CA2 | P00918 | 1/20 | 0.56 |
| ▸ | CHKA | P35790 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.56 |
| ▸ | MEN1 | O00255 | 2/20 | 0.56 |
| ▸ | USP2 | O75604 | 1/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 3/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.44 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.41 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.41 |
| ▸ | P2RX4 | Q99571 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2676573 | 0.97 | ALDH1A1 (0.80) | ALDH1A1CA2CHKAKMT2AMEN1 | |
| SCHEMBL26132162 | 0.97 | ALDH1A1 (0.74) | ALDH1A1CA2CHKAKMT2AMEN1 | |
| SCHEMBL1151783 | 0.89 | ALDH1A1 (0.58) | ALDH1A1CA2CHKAKMT2AMEN1 | |
| SCHEMBL21291787 | 0.89 | ALDH1A1 (0.58) | ALDH1A1CA2CHKAKMT2AMEN1 | |
| SCHEMBL9537676 | 0.89 | ALDH1A1 (0.58) | ALDH1A1CA2CHKAKMT2AMEN1 | |
| SCHEMBL6704420 | 0.89 | ALDH1A1 (0.58) | ALDH1A1CA2CHKAKMT2AMEN1 | |
| SCHEMBL64790 | 0.89 | — | — | |
| Water SCHEMBL9407657 | 0.86 | ALDH1A1 (0.55) | ALDH1A1CA2CHKAKMT2AMEN1 | |
| SCHEMBL30523266 | 0.86 | ALDH1A1 (0.55) | ALDH1A1CA2CHKAKMT2AMEN1 | |
| Hydrochloric Acid SCHEMBL1477069 | 0.86 | ALDH1A1 (0.55) | ALDH1A1CA2CHKAKMT2AMEN1 |
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-116615417-A | 1, 4-diheterocycle substituted aromatic ring or aromatic heterocyclic compound and application thereof | 广州必贝特医药股份有限公司 | 2023-08-18 | — | — | CN | disclosed |