Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 8/20 | 0.54 |
| ▸ | CA9 | Q16790 | 5/20 | 0.54 |
| ▸ | CA12 | O43570 | 3/20 | 0.54 |
| ▸ | CA1 | P00915 | 6/20 | 0.52 |
| ▸ | CA4 | P22748 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | CA7 | P43166 | 3/20 | 0.49 |
| ▸ | MMP2 | P08253 | 2/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.47 |
| ▸ | UTS2R | Q9UKP6 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | MMP1 | P03956 | 1/20 | 0.44 |
| ▸ | MMP9 | P14780 | 1/20 | 0.44 |
| ▸ | MMP8 | P22894 | 1/20 | 0.44 |
| ▸ | MMP13 | P45452 | 1/20 | 0.44 |
| ▸ | GBA1 | P04062 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL18321207 | 0.79 | CA2 (0.73) | CA2CA9CA12CA1CA4 | |
| SCHEMBL18328211 | 0.78 | CA2 (0.68) | CA2CA9CA12CA1CA4 | |
| SCHEMBL14039435 | 0.78 | CA2 (0.62) | CA2CA9CA12CA1CA4 | |
| SCHEMBL9157760 | 0.77 | TDP1 (0.60) | CA2CA9CA12MMP2MMP1 | |
| SCHEMBL9150284 | 0.77 | TDP1 (0.60) | CA2CA9CA12MMP2MMP1 | |
| SCHEMBL12406332 | 0.76 | CA2 (0.58) | CA2CA9CA12CA1CA4 | |
| SCHEMBL28981627 | 0.75 | CA2 (0.63) | CA2CA9CA1CA4ALDH1A1 | |
| SCHEMBL28981623 | 0.75 | CA2 (0.63) | CA2CA9CA1CA4ALDH1A1 | |
| SCHEMBL7568069 | 0.74 | CA2 (0.54) | CA2CA9CA12CA1CA4 | |
| SCHEMBL29831100 | 0.74 | CA2 (0.54) | CA2CA9CA12CA1CA4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112574087-B | Synthetic method of 3-aminopyrrolidine hydrochloride | 南京杰运医药科技有限公司 | 2022-07-26 | — | — | CN | disclosed |
| CN-112574087-A | Synthetic method of 3-aminopyrrolidine hydrochloride | 南京杰运医药科技有限公司 | 2021-03-30 | — | — | CN | disclosed |