Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | MGAM | O43451 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | SI | P14410 | 1/20 | 0.34 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.34 |
| ▸ | GLB1 | P16278 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.32 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL24739562 | 0.83 | ALDH1A1 (0.38) | ALDH1A1ALOX15USP2TDP1CYP1A2 | |
| SCHEMBL6129181 | 0.81 | ALDH1A1 (0.44) | ALDH1A1ALOX15USP2TDP1CYP1A2 | |
| SCHEMBL24739210 | 0.81 | ALDH1A1 (0.38) | ALDH1A1ALOX15USP2TDP1CYP1A2 | |
| SCHEMBL24739475 | 0.81 | ALDH1A1 (0.38) | ALDH1A1ALOX15USP2TDP1CYP1A2 | |
| SCHEMBL30584076 | 0.80 | EPHX2 (0.33) | EPHX2 | |
| SCHEMBL24739163 | 0.78 | ALDH1A1 (0.35) | ALDH1A1ALOX15USP2TDP1CYP1A2 | |
| SCHEMBL30584060 | 0.76 | — | — | |
| SCHEMBL24739190 | 0.76 | DPP4 (0.36) | ALDH1A1ALOX15USP2TDP1MEN1 | |
| SCHEMBL14592433 | 0.74 | KCNH2 (0.43) | ALDH1A1TDP1KDM4EMAPTKMT2A | |
| SCHEMBL15877395 | 0.74 | ALDH1A1 (0.40) | ALDH1A1ALOX15USP2TDP1CYP1A2 |
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-2022253101-A1 | PYRIDAZINONE COMPOUND AS PARP7 INHIBITOR | 上海优理惠生医药有限公司 | 2022-12-08 | — | — | WO | disclosed |