Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | HPGD | P15428 | 3/20 | 0.49 |
| ▸ | HTT | P42858 | 2/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | ESR1 | P03372 | 2/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.41 |
| ▸ | GFER | P55789 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | FAAH | O00519 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7976544 | 0.84 | ALOX15 (0.52) | ALDH1A1HPGDHTTTSHRGFER | |
| SCHEMBL21931634 | 0.80 | ESR1 (0.48) | TSHRESR1ESR2CYP3A4TDP1 | |
| SCHEMBL2328652 | 0.77 | MEN1 (0.46) | ALDH1A1HPGDHTTTSHRMEN1 | |
| SCHEMBL7900500 | 0.74 | CA1 (0.49) | ALDH1A1HPGDHTTTSHRMEN1 | |
| SCHEMBL15266082 | 0.72 | HMGCR (0.45) | ALDH1A1HPGDTSHRESR1ESR2 | |
| SCHEMBL1858652 | 0.72 | HPGD (0.62) | ALDH1A1HPGDHTTTSHRGFER | |
| SCHEMBL275339 | 0.71 | ALDH1A1 (0.52) | ALDH1A1HTTTSHRESR1ESR2 | |
| SCHEMBL2555255 | 0.71 | CYP3A4 (0.50) | ALDH1A1TSHRESR1ESR2CYP3A4 | |
| SCHEMBL8406689 | 0.70 | HTT (0.53) | ALDH1A1HPGDHTTTSHRGFER | |
| SCHEMBL4410065 | 0.70 | TRPA1 (0.46) | ALDH1A1TSHRCYP3A4TDP1CA12 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001090105-A1 | ISOTHIAZOLES AS PESTICIDES | SYNGENTA LIMITED (GB) | 2001-11-29 | — | — | WO | disclosed |