Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.46 |
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.45 |
| ▸ | MAOA | P21397 | 2/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | CASP3 | P42574 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Nitrosobenzene SCHEMBL103117 | 0.84 | — | — | |
| Nitrosobenzene SCHEMBL3176061 | 0.84 | — | — | |
| Nitrosobenzene SCHEMBL28014686 | 0.84 | ALDH1A1 (0.59) | ALDH1A1TSHRHSD17B10TDP1CYP3A4 | |
| Nitrosobenzene SCHEMBL28102490 | 0.81 | ALDH1A1 (0.52) | ALDH1A1TSHRHSD17B10TDP1CYP3A4 | |
| Nitrosobenzene SCHEMBL27642000 | 0.81 | — | — | |
| Nitrosobenzene SCHEMBL26970890 | 0.81 | — | — | |
| Nitrosobenzene SCHEMBL27874353 | 0.81 | — | — | |
| Nitrosobenzene SCHEMBL30901881 | 0.81 | — | — | |
| Nitrosobenzene SCHEMBL28230134 | 0.81 | — | — | |
| Nitrosobenzene SCHEMBL7961436 | 0.81 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105412040-B | A kind of Nifedipine controlled-release tablet and preparation method thereof | 西南药业股份有限公司 | 2018-08-14 | — | — | CN | disclosed |
| CN-106349152-A | Preparation method of nimodipine impurity | 北京科莱博医药开发有限责任公司 | 2017-01-25 | — | — | CN | disclosed |
| CN-105412040-A | Nifedipine controlled release tablet and preparation method thereof | XINAN PHARMACEUTICAL CO LTD | 2016-03-23 | — | — | CN | disclosed |