Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.51 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.51 |
| ▸ | TSHR | P16473 | 2/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | THRB | P10828 | 1/20 | 0.50 |
| ▸ | ERN1 | O75460 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2147229 | 0.85 | ALDH1A1 (0.53) | ALDH1A1SMN1; SMN2GPR35TSHRTP53 | |
| SCHEMBL14550176 | 0.80 | ALDH1A1 (0.55) | ALDH1A1TSHRHTTL3MBTL1VCAM1 | |
| SCHEMBL4402520 | 0.80 | ALDH1A1 (0.51) | ALDH1A1TSHRHTTVCAM1TDP1 | |
| SCHEMBL31493924 | 0.77 | HTT (0.66) | ALDH1A1SMN1; SMN2GPR35TSHRTP53 | |
| SCHEMBL221924 | 0.77 | HTT (0.66) | ALDH1A1SMN1; SMN2GPR35TSHRTP53 | |
| SCHEMBL5152146 | 0.77 | CYP19A1 (0.57) | ALDH1A1SMN1; SMN2GPR35TSHRTP53 | |
| Potassium Ion SCHEMBL1531373 | 0.76 | HTT (0.64) | ALDH1A1SMN1; SMN2GPR35TSHRTP53 | |
| SCHEMBL22534526 | 0.76 | HTT (0.64) | ALDH1A1SMN1; SMN2GPR35TSHRTP53 | |
| SCHEMBL1531372 | 0.76 | HTT (0.64) | ALDH1A1SMN1; SMN2GPR35TSHRTP53 | |
| SCHEMBL31296069 | 0.76 | HTT (0.64) | ALDH1A1SMN1; SMN2GPR35TSHRTP53 |
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-2738158-B1 | METAL SALEN COMPLEX COMPOUND, LOCAL ANESTHETIC, AND ANTI-MALIGNANT TUMOR AGENT | IHI CORP (JP) | 2019-04-24 | — | — | EP | disclosed |