Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | CDK1 | P06493 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9635288 | 0.71 | — | — | |
| SCHEMBL9635208 | 0.66 | — | — | |
| SCHEMBL9635210 | 0.66 | — | — | |
| SCHEMBL7015380 | 0.63 | — | — | |
| SCHEMBL9510450 | 0.63 | OPRK1 (0.41) | NPC1ALDH1A1MAPTRAB9ACDK1 | |
| SCHEMBL133072 | 0.63 | TSHR (0.36) | — | |
| SCHEMBL11203963 | 0.61 | CDK1 (0.35) | NPC1ALDH1A1MAPTRAB9ACDK1 | |
| SCHEMBL9635281 | 0.60 | CCNB2 (0.31) | CDK1 | |
| SCHEMBL10159150 | 0.58 | ALDH1A1 (0.36) | ALDH1A1 | |
| SCHEMBL20146024 | 0.56 | — | — |
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-0442115-B1 | Process for nucleus-chlorination of aromatic hydrocarbons | BAYER AG (DE) | 1993-11-24 | — | — | EP | disclosed |
| US-5105036-A | Friedel-Crafts catalyst and oxy-substituted cyclic amidines as cocatylsts; preferential formation of p-isomer | BAYER AKTIENGESELLSCHAFT (DE) | 1992-04-14 | — | — | US | disclosed |
| EP-0442115-A1 | Process for nucleus-chlorination of aromatic hydrocarbons | BAYER AG (DE) | 1991-08-21 | — | — | EP | disclosed |