Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SNCA | P37840 | 1/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.39 |
| ▸ | CA2 | P00918 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA3 | P07451 | 1/20 | 0.39 |
| ▸ | CA6 | P23280 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.38 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.38 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 3/20 | 0.38 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.38 |
| ▸ | IMPDH1 | P20839 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL9507653 | 1.00 | SNCA (0.47) | SNCACYP2A6CA2ALDH1A1CA12 | |
| SCHEMBL9508140 | 0.93 | DRD2 (0.44) | SNCACA2ALDH1A1HDAC4HDAC7 | |
| SCHEMBL9511279 | 0.79 | MAOB (0.39) | SNCAALDH1A1DRD3LMNAPGR | |
| SCHEMBL28901495 | 0.78 | SNCA (0.54) | SNCADRD2IMPDH2IMPDH1DRD3 | |
| SCHEMBL28486643 | 0.78 | SNCA (0.73) | SNCADRD2IMPDH2IMPDH1DRD3 | |
| SCHEMBL30760623 | 0.78 | SNCA (0.73) | SNCADRD2IMPDH2IMPDH1DRD3 | |
| SCHEMBL28481960 | 0.76 | SNCA (0.65) | SNCALMNAACHEPTGS1SLC6A2 | |
| SCHEMBL30490473 | 0.76 | SNCA (0.65) | SNCALMNAACHEPTGS1SLC6A2 | |
| SCHEMBL28414758 | 0.75 | SNCA (0.37) | SNCACYP2A6CA2ALDH1A1CA12 | |
| SCHEMBL18917612 | 0.74 | CASP3 (0.49) | SNCAHDAC4HDAC7HDAC8HDAC6 |
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-0399293-B1 | PROCESS FOR PREPARING 2-CHLORO-4-NITRO-ALKYLBENZENE | BAYER AG (DE) | 1993-09-01 | — | — | EP | disclosed |
| US-5095157-A | Friedel-crafts catalyst | BAYER AKTIENGESELLSCHAFT (DE) | 1992-03-10 | — | — | US | disclosed |
| EP-0399293-A1 | Process for preparing 2-chloro-4-nitro-alkylbenzene | BAYER AG (DE) | 1990-11-28 | — | — | EP | disclosed |