Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.57 |
| ▸ | MAPT | P10636 | 6/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 5/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | GFER | P55789 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.43 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL23121234 | 0.85 | TDP1 (0.79) | TDP1MAPTALDH1A1HPGDKDM4E | |
| SCHEMBL29606425 | 0.85 | TDP1 (0.79) | TDP1MAPTALDH1A1HPGDKDM4E | |
| SCHEMBL5842593 | 0.83 | ALDH1A1 (0.62) | TDP1MAPTALDH1A1HPGDKDM4E | |
| SCHEMBL14305326 | 0.81 | TDP1 (0.47) | TDP1MAPTALDH1A1HPGDKDM4E | |
| SCHEMBL13475490 | 0.81 | MEN1 (0.56) | MAPTALDH1A1HPGDKDM4ELMNA | |
| SCHEMBL4009130 | 0.81 | FFAR4 (0.46) | MAPTALDH1A1GAALMNAKMT2A | |
| Hydrochloric Acid SCHEMBL27802033 | 0.80 | TDP1 (0.44) | TDP1MAPTALDH1A1GAAKMT2A | |
| SCHEMBL5841965 | 0.78 | MRGPRX4 (0.54) | TDP1MAPTALDH1A1HPGDKDM4E | |
| SCHEMBL13798597 | 0.78 | TDP1 (0.45) | TDP1MAPTALDH1A1HPGDGAA | |
| SCHEMBL9312983 | 0.78 | ALDH1A1 (0.69) | TDP1MAPTALDH1A1HPGDKDM4E |
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-112812097-B | Method for synthesizing 3- (2-pyridine) substituted pyrrole compound by visible light catalysis | 河南师范大学（CN） | 2023-01-13 | — | — | CN | disclosed |
| CN-112812097-A | Method for synthesizing 3- (2-pyridine) substituted pyrrole compound by visible light catalysis | 河南师范大学 | 2021-05-18 | — | — | CN | disclosed |