Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | ACSS2 | Q9NR19 | 1/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.35 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.35 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.35 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.35 |
| ▸ | SYK | P43405 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL20669564 | 0.84 | ALDH1A1 (0.39) | ALDH1A1GAAL3MBTL1CYP1A2CYP2C9 | |
| SCHEMBL30765177 | 0.84 | ALDH1A1 (0.41) | ALDH1A1CYP2C19SMN1; SMN2KDM4ELMNA | |
| SCHEMBL14332035 | 0.83 | NOS1 (0.42) | ALDH1A1GAAL3MBTL1CYP1A2CYP2C9 | |
| SCHEMBL29849887 | 0.83 | NOS1 (0.42) | ALDH1A1GAAL3MBTL1CYP1A2CYP2C9 | |
| SCHEMBL24369218 | 0.82 | ALDH1A1 (0.37) | ALDH1A1GAAL3MBTL1CYP1A2CYP2C9 | |
| SCHEMBL11913028 | 0.78 | ALDH1A1 (0.40) | ALDH1A1GAACYP1A2CYP2C9CYP2C19 | |
| SCHEMBL29660673 | 0.78 | ALDH1A1 (0.40) | ALDH1A1GAACYP1A2CYP2C9CYP2C19 | |
| SCHEMBL1171499 | 0.78 | POLB (0.47) | GAAL3MBTL1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL14330657 | 0.77 | ALDH1A1 (0.42) | ALDH1A1GAACYP1A2CYP2C9CYP2C19 | |
| SCHEMBL24023322 | 0.76 | HSD11B1 (0.39) | ALDH1A1GAASMN1; SMN2KDM4ENPSR1 |
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-111196804-B | TGF-beta R1 inhibitors and uses thereof | 南京圣和药业股份有限公司 | 2023-11-07 | — | — | CN | disclosed |
| CN-111196804-A | TGF- β R1 inhibitor and application thereof | 南京圣和药业股份有限公司 | 2020-05-26 | — | — | CN | disclosed |