Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.54 |
| ▸ | MMP1 | P03956 | 2/20 | 0.52 |
| ▸ | MMP2 | P08253 | 2/20 | 0.52 |
| ▸ | MMP9 | P14780 | 2/20 | 0.52 |
| ▸ | MMP8 | P22894 | 2/20 | 0.52 |
| ▸ | MMP13 | P45452 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | AKT1 | P31749 | 2/20 | 0.48 |
| ▸ | DRD2 | P14416 | 1/20 | 0.47 |
| ▸ | NAMPT | P43490 | 3/20 | 0.47 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA7 | P43166 | 1/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.47 |
| ▸ | GLS | O94925 | 1/20 | 0.47 |
| ▸ | CNR2 | P34972 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL28075177 | 0.82 | MMP1 (0.47) | MMP1MMP2MMP9MMP8MMP13 | |
| SCHEMBL10249437 | 0.80 | CYP17A1 (0.68) | CA2AKT1DRD2NAMPTCYP17A1 | |
| SCHEMBL7042995 | 0.80 | DRD2 (0.59) | AKT1DRD2NAMPTCYP17A1CA12 | |
| SCHEMBL4326881 | 0.80 | CTSL (0.51) | MMP1MMP2MMP9MMP8MMP13 | |
| SCHEMBL14576090 | 0.79 | CA12 (0.55) | MMP1MMP2MMP9MMP8MMP13 | |
| SCHEMBL24124873 | 0.79 | CYP17A1 (0.50) | MMP1MMP2MMP9MMP8MMP13 | |
| SCHEMBL1854209 | 0.78 | ATM (0.56) | AKT1DRD2NAMPTCYP17A1CA12 | |
| SCHEMBL28370608 | 0.78 | ALDH1A1 (0.47) | MAPT | |
| SCHEMBL3563212 | 0.78 | MAPT (0.55) | CA2MMP1MMP2MMP9MMP8 | |
| SCHEMBL22930812 | 0.77 | CYP17A1 (0.57) | MMP1MMP2MMP9MMP8MMP13 |
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-102811998-B | Novel cyclophilin inhibitors and uses thereof | INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) | 2016-03-30 | — | — | CN | disclosed |