Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | FDPS | P14324 | 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 | |
|---|---|---|---|---|
| SCHEMBL5345989 | 0.75 | — | — | |
| SCHEMBL5345997 | 0.75 | — | — | |
| SCHEMBL29182099 | 0.72 | ALDH1A1 (0.41) | ALDH1A1POLBKMT2ACYP2E1CYP3A4 | |
| SCHEMBL16774676 | 0.70 | — | — | |
| SCHEMBL21573744 | 0.69 | ALDH1A1 (0.32) | ALDH1A1POLBKMT2ACYP2E1CYP3A4 | |
| SCHEMBL2906953 | 0.69 | — | — | |
| SCHEMBL36575 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL1007846 | 0.67 | — | — | |
| SCHEMBL28879040 | 0.67 | GRM4 (0.41) | ALDH1A1POLBKMT2ACYP3A4LMNA | |
| SCHEMBL11159270 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105254569-A | Preparation method of ornidazole injection impurity 1-(3-chloro-propenyl)-2-methyl-5-nitroimidazole | SHANDONG QIDU PHARMACEUTICAL | 2016-01-20 | — | — | CN | disclosed |