Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 5/20 | 0.52 |
| ▸ | CA12 | O43570 | 2/20 | 0.52 |
| ▸ | CA1 | P00915 | 2/20 | 0.52 |
| ▸ | CA7 | P43166 | 2/20 | 0.52 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.52 |
| ▸ | DAO | P14920 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | MAOA | P21397 | 2/20 | 0.37 |
| ▸ | MAOB | P27338 | 2/20 | 0.37 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.37 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.37 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | APAF1 | O14727 | 1/20 | 0.36 |
| ▸ | MAP2K7 | O14733 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8637757 | 0.87 | CA2 (0.61) | CA2CA12CA1CA7CA13 | |
| SCHEMBL6711059 | 0.82 | DAO (0.40) | CA2CA12CA1CA7CA13 | |
| SCHEMBL13652188 | 0.82 | MAOA (0.56) | CA2CA12CA1CA7CA13 | |
| SCHEMBL15672238 | 0.82 | KIF11 (0.47) | CA2CA12CA1CA7CA13 | |
| SCHEMBL8529367 | 0.80 | CA2 (0.55) | CA2CA12CA1CA7CA13 | |
| SCHEMBL3900894 | 0.80 | CA2 (0.55) | CA2CA12CA1CA7CA13 | |
| SCHEMBL10365202 | 0.79 | CA2 (0.41) | CA2CA12CA1CA7CA13 | |
| SCHEMBL2589711 | 0.78 | CA2 (0.53) | CA2CA12CA1CA7CA13 | |
| SCHEMBL23930344 | 0.77 | NPC1 (0.49) | CA2CA12CA1CA7CA13 | |
| SCHEMBL16591748 | 0.77 | MAOB (0.40) | CA2CA12CA1CA7CA13 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0309839-B1 | PROCESS FOR THE PREPARATION OF OXYETHYL MERCAPTOBENZALDEHYDES, AND THEIR OXIDATION PRODUCTS | HOECHST AKTIENGESELLSCHAFT (DE) | 1992-03-04 | — | — | EP | disclosed |
| US-4922014-A | Process for the preparation of oxethylmercaptobenzaldehydes and their oxidation products | HOECHST AKTIENGESELLSCHAFT (DE) | 1990-05-01 | — | — | US | disclosed |
| EP-0309839-A1 | Process for the preparation of oxyethyl mercaptobenzaldehydes, and their oxidation products | HOECHST AKTIENGESELLSCHAFT (DE) | 1989-04-05 | — | — | EP | disclosed |