Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 5/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.33 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.33 |
| ▸ | SNCA | P37840 | 1/20 | 0.33 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | DTYMK | P23919 | 1/20 | 0.33 |
| ▸ | CASP6 | P55212 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | VCAM1 | P19320 | 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 | |
|---|---|---|---|---|
| SCHEMBL6902179 | 0.80 | TSHR (0.42) | ALDH1A1HPGDTDP1ATMTSHR | |
| SCHEMBL8199190 | 0.79 | TSHR (0.56) | ALDH1A1HPGDTDP1ATMTSHR | |
| SCHEMBL313581 | 0.74 | ALDH1A1 (0.70) | ALDH1A1HPGDTDP1TSHRCYP3A4 | |
| SCHEMBL5178027 | 0.73 | TSHR (0.56) | ALDH1A1HPGDTDP1ATMTSHR | |
| SCHEMBL7974830 | 0.72 | TDP1 (0.64) | ALDH1A1HPGDTDP1ATMTSHR | |
| SCHEMBL1132751 | 0.71 | TXNRD1 (0.41) | ALDH1A1HPGDTDP1ATMTSHR | |
| SCHEMBL7669396 | 0.70 | CYP1A2 (0.58) | ALDH1A1HPGDTDP1TSHRCYP3A4 | |
| SCHEMBL6947524 | 0.69 | TSHR (0.47) | ALDH1A1HPGDTDP1ATMTSHR | |
| SCHEMBL16961286 | 0.69 | PDK1 (0.51) | ALDH1A1TDP1TSHRCYP3A4MAPT | |
| SCHEMBL11669434 | 0.69 | VCAM1 (0.51) | ALDH1A1HPGDTDP1TSHRCYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0038661-A2 | Process for the preparation of beta-lactams | BEECHAM GROUP PLC (GB) | 1981-10-28 | — | — | EP | disclosed |