Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA4 | P22748 | 1/20 | 0.43 |
| ▸ | CA7 | P43166 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | LIG1 | P18858 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL2603740 | 0.71 | KDM4E (0.47) | HRH3KCNH2KDM4EKMT2ARECQL | |
| SCHEMBL31394735 | 0.69 | CA12 (0.44) | CA12CA1CA2CA4CA7 | |
| SCHEMBL21872073 | 0.64 | PTPN1 (0.41) | KDM4EALDH1A1RECQLTDP1 | |
| SCHEMBL21527724 | 0.61 | MAP3K5 (0.46) | KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL5381248 | 0.61 | LIG1 (0.42) | CA12CA1CA2CA4CA7 | |
| SCHEMBL3243204 | 0.61 | LIG1 (0.42) | CA12CA1CA2CA4CA7 | |
| Hydrochloric Acid SCHEMBL30075334 | 0.60 | LIG1 (0.41) | CA12CA1CA2CA4CA7 | |
| SCHEMBL9374810 | 0.60 | AHR (0.56) | CA12CA1CA2CA4CA7 | |
| SCHEMBL28798325 | 0.59 | ALDH1A1 (0.48) | CA12CA1CA2CA4CA7 | |
| Phthalic Acid SCHEMBL28418540 | 0.59 | ALDH1A1 (0.78) | CA12CA1CA2CA4CA7 |
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-1999010346-A1 | BENZOTHIADIAZINYL-INDOLE DERIVATIVES AND THEIR USE AS SEROTONIN RECEPTOR LIGANDS | ELI LILLY AND COMPANY LIMITED (GB) | 1999-03-04 | — | — | WO | disclosed |