Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 3/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | MMP9 | P14780 | 1/20 | 0.38 |
| ▸ | MMP14 | P50281 | 1/20 | 0.38 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.38 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.38 |
| ▸ | MME | P08473 | 1/20 | 0.37 |
| ▸ | CTSL | P07711 | 1/20 | 0.37 |
| ▸ | CTSS | P25774 | 1/20 | 0.37 |
| ▸ | CTSK | P43235 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3413225 | 0.93 | ALDH1A1 (0.57) | ALDH1A1KMT2ASLC1A1CA1CA2 | |
| SCHEMBL6378583 | 0.91 | ALDH1A1 (0.54) | ALDH1A1SLC1A1CA1CA2CA7 | |
| SCHEMBL9192156 | 0.90 | ALDH1A1 (0.50) | ALDH1A1KMT2ASLC1A1HTTHPGD | |
| SCHEMBL9191601 | 0.88 | ALDH1A1 (0.51) | ALDH1A1KMT2ASLC1A1HTTCA1 | |
| SCHEMBL9575368 | 0.86 | KMT2A (0.46) | KMT2ASLC1A1HTTHPGDCA1 | |
| SCHEMBL6840164 | 0.85 | ALDH1A1 (0.51) | ALDH1A1SLC1A1CA1CA2CA7 | |
| SCHEMBL14125262 | 0.85 | ALDH1A1 (0.51) | ALDH1A1SLC1A1CA1CA2CA7 | |
| SCHEMBL2437269 | 0.85 | ALDH1A1 (0.54) | ALDH1A1SLC1A1CA1CA2CA7 | |
| SCHEMBL9197596 | 0.85 | ALDH1A1 (0.54) | ALDH1A1KMT2ASLC1A1CA1CA2 | |
| SCHEMBL9019848 | 0.84 | ALDH1A1 (0.47) | ALDH1A1SLC1A1CA1CA2CA7 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0452680-B1 | Substituted purines, process for their preparation and their use as antiviral agents | HOECHST AG (DE) | 1996-11-06 | — | — | EP | disclosed |
| EP-0448006-B1 | Process for the preparation of acylales | HOECHST AG (DE) | 1995-01-25 | — | — | EP | disclosed |
| US-5231221-A | PROCESS FOR THE PREPARATION OF ACYLALS | HOECHST AKTIENGESELLSCHAFT (DE) | 1993-07-27 | — | — | US | disclosed |
| EP-0452680-A1 | Substituted purines, process for their preparation and their use as antiviral agents | HOECHST AKTIENGESELLSCHAFT (DE) | 1991-10-23 | — | — | EP | disclosed |
| EP-0448006-A2 | Process for the preparation of acylales | HOECHST AKTIENGESELLSCHAFT (DE) | 1991-09-25 | — | — | EP | disclosed |