Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.35 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 3/20 | 0.35 |
| ▸ | CA1 | P00915 | 3/20 | 0.35 |
| ▸ | CA2 | P00918 | 3/20 | 0.35 |
| ▸ | CA7 | P43166 | 3/20 | 0.35 |
| ▸ | CA9 | Q16790 | 3/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | PPARG | P37231 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9326006 | 0.88 | CA12 (0.41) | HSD17B1HSD17B2CA12CA1CA2 | |
| SCHEMBL9327826 | 0.85 | ALDH1A1 (0.40) | ALDH1A1TSHRHTTMAPK1MAPT | |
| SCHEMBL9326889 | 0.75 | CNR2 (0.41) | ALDH1A1HSD17B1HSD17B2CA12CA1 | |
| SCHEMBL8785618 | 0.75 | KCNN4 (0.43) | ALDH1A1HSD17B1HSD17B2MEN1KMT2A | |
| SCHEMBL3923273 | 0.75 | CNR2 (0.51) | HSD17B1HSD17B2CA12CA1CA2 | |
| SCHEMBL9796995 | 0.75 | ALDH1A1 (0.56) | ALDH1A1TSHRHTTMAPK1MAPT | |
| SCHEMBL17420520 | 0.74 | ACSS2 (0.47) | ALDH1A1TSHRCA12CA1CA2 | |
| SCHEMBL9080424 | 0.73 | ALDH1A1 (0.41) | ALDH1A1TSHRHSD17B1HSD17B2CA12 | |
| SCHEMBL10747932 | 0.72 | ALDH1A1 (0.61) | ALDH1A1TSHRHTTMAPTMEN1 | |
| SCHEMBL17978734 | 0.71 | MEN1 (0.51) | ALDH1A1HTTMAPTTHRBPIN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5298511-A | Alkanoic acid derivatives | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1994-03-29 | — | — | US | disclosed |
| EP-0540165-A1 | Alkanoic acid derivatives | ZENECA LIMITED (GB) | 1993-05-05 | — | — | EP | disclosed |