Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARG | Q86W56 | 3/20 | 0.64 |
| ▸ | CTSS | P25774 | 12/20 | 0.45 |
| ▸ | CTSK | P43235 | 11/20 | 0.45 |
| ▸ | CTSL | P07711 | 10/20 | 0.45 |
| ▸ | CTSB | P07858 | 8/20 | 0.45 |
| ▸ | IDH2 | P48735 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | MMP1 | P03956 | 1/20 | 0.42 |
| ▸ | MMP2 | P08253 | 1/20 | 0.42 |
| ▸ | MMP9 | P14780 | 1/20 | 0.42 |
| ▸ | MMP8 | P22894 | 1/20 | 0.42 |
| ▸ | MMP13 | P45452 | 1/20 | 0.42 |
| ▸ | IL1RN | P18510 | 1/20 | 0.41 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.41 |
| ▸ | ERAP1 | Q9NZ08 | 1/20 | 0.41 |
| ▸ | CTSC | P53634 | 2/20 | 0.40 |
| ▸ | USP30 | Q70CQ3 | 2/20 | 0.40 |
| ▸ | UCHL1 | P09936 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL16108775 | 0.81 | PARG (0.59) | PARGCTSSCTSKCTSLCTSB | |
| SCHEMBL26144946 | 0.81 | PARG (0.55) | PARGCTSSCTSKCTSLCTSB | |
| SCHEMBL25105601 | 0.79 | PARG (0.53) | PARGCTSSCA1CA2MMP1 | |
| SCHEMBL15646930 | 0.78 | PARG (0.65) | PARGCTSSCTSKCTSLCTSB | |
| SCHEMBL15646442 | 0.75 | PARG (0.61) | PARGCTSSCTSKCTSLCTSB | |
| SCHEMBL16852622 | 0.72 | PARG (0.47) | PARGCTSSCTSKCTSL | |
| SCHEMBL18077845 | 0.72 | PARG (0.47) | PARGCTSSCTSKCTSLCTSB | |
| SCHEMBL16819769 | 0.72 | PARG (0.47) | PARGCTSSCTSKCTSLCTSB | |
| SCHEMBL8514374 | 0.72 | PARG (0.61) | PARGCA1CA2MMP1MMP2 | |
| SCHEMBL28439744 | 0.71 | CA1 (0.50) | CA1CA2MMP1MMP2MMP9 |
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-107652207-A | A kind of synthetic method of the cyclopropylniitrile hydrochloride of 1 amino 1 | 重庆科脉生物化工有限公司 | 2018-02-02 | — | — | CN | claimed |
| CN-107652207-A | A kind of synthetic method of the cyclopropylniitrile hydrochloride of 1 amino 1 | 重庆科脉生物化工有限公司 | 2018-02-02 | — | — | CN | disclosed |
| CN-107652207-A | A kind of synthetic method of the cyclopropylniitrile hydrochloride of 1 amino 1 | 重庆科脉生物化工有限公司 | 2018-02-02 | — | — | CN | disclosed |