Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYR | P14679 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | ALDH1A3 | P47895 | 2/20 | 0.43 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.39 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.39 |
| ▸ | FAAH | O00519 | 1/20 | 0.39 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.38 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.37 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL10914526 | 0.84 | HSP90AA1 (0.36) | TYRALDH1A1HSP90AA1HSP90AB1SMN1; SMN2 | |
| SCHEMBL9278419 | 0.82 | ALDH1A1 (0.55) | ALDH1A1HSP90AA1HSP90AB1SMN1; SMN2FAAH | |
| SCHEMBL17113868 | 0.81 | NPSR1 (0.50) | ALDH1A1HSP90AA1HSP90AB1SMN1; SMN2 | |
| SCHEMBL21535462 | 0.80 | SMN1; SMN2 (0.58) | ALDH1A1SMN1; SMN2LTB4RLTB4R2 | |
| SCHEMBL1140292 | 0.78 | TYR (0.57) | TYRALDH1A1ALDH1A3SMN1; SMN2AKR1C3 | |
| SCHEMBL8079980 | 0.77 | TYR (0.47) | TYRALDH1A3AKR1C3AKR1C2GRIA4 | |
| SCHEMBL2063625 | 0.76 | TYR (0.50) | TYRALDH1A1ALDH1A3ALDH3A1AKR1C3 | |
| SCHEMBL693837 | 0.76 | TYR (0.59) | TYRALDH1A1AKR1C3AKR1C2 | |
| SCHEMBL11704768 | 0.76 | TYR (0.59) | TYRALDH1A1AKR1C3AKR1C2 | |
| SCHEMBL29954993 | 0.76 | TYR (0.59) | TYRALDH1A1AKR1C3AKR1C2 |
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-104447608-B | Hydroxamic acid micromolecule organic compound with thaizolidinone structure as well as derivatives, application and preparation method of hydroxamic acid micromolecule organic compounds | 华东师范大学 | 2017-01-11 | — | — | CN | disclosed |
| CN-104447608-A | Hydroxamic acid micromolecule organic compound with thaizolidinone structure as well as derivatives, application and preparation method of hydroxamic acid micromolecule organic compounds | UNIV EAST CHINA NORMAL | 2015-03-25 | — | — | CN | disclosed |