Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | ERN1 | O75460 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | CCR1 | P32246 | 1/20 | 0.33 |
| ▸ | CCR5 | P51681 | 1/20 | 0.33 |
| ▸ | CCR8 | P51685 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 2/20 | 0.33 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | CA9 | Q16790 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.33 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL3416435 | 0.98 | ALDH1A1 (0.38) | ALDH1A1HPGDHTTSMN1; SMN2ERN1 | |
| SCHEMBL16096641 | 0.85 | ALDH1A1 (0.38) | ALDH1A1HPGDHTTSMN1; SMN2ERN1 | |
| SCHEMBL15570938 | 0.81 | CA12 (0.49) | ALDH1A1HPGDHTTSMN1; SMN2CA12 | |
| SCHEMBL29935810 | 0.79 | ERN1 (0.49) | ALDH1A1ERN1MAPTCA12CA1 | |
| SCHEMBL1052852 | 0.79 | ERN1 (0.49) | ALDH1A1ERN1MAPTCA12CA1 | |
| SCHEMBL3417565 | 0.78 | HPGD (0.38) | ALDH1A1HPGDHTTSMN1; SMN2MAPT | |
| SCHEMBL3417563 | 0.78 | HPGD (0.38) | ALDH1A1HPGDHTTSMN1; SMN2MAPT | |
| SCHEMBL4857523 | 0.78 | ALDH1A1 (0.36) | ALDH1A1HPGDHTTSMN1; SMN2ERN1 | |
| SCHEMBL28267778 | 0.77 | KDM1A (0.39) | MAPTCA12CA1CA2CA9 | |
| SCHEMBL26124770 | 0.77 | EGFR (0.36) | ALDH1A1HPGDHTTSMN1; SMN2ERN1 |
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-105209449-B | Inhibitors of the kynurenine pathway | 库拉德夫制药私人有限公司 | 2019-02-01 | — | — | CN | disclosed |
| CN-105209449-A | Inhibitors of the kynurenine pathway | CURADEV PHARMA PRIVATE LTD | 2015-12-30 | — | — | CN | disclosed |