Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | PIN1 | Q13526 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | AR | P10275 | 1/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.38 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.36 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29773128 | 1.00 | CYP2C9 (0.49) | CYP2C9PIN1CA2ADORA3AR | |
| SCHEMBL12510825 | 0.85 | CYP2C9 (0.51) | CYP2C9ADORA3ARHSD11B1AKR1C3 | |
| SCHEMBL29773127 | 0.80 | MMP2 (0.39) | CYP2C9PIN1CA2SSTR4FFAR1 | |
| SCHEMBL9074498 | 0.79 | CA2 (0.39) | PIN1CA2ADORA3ARHSD11B1 | |
| SCHEMBL1985653 | 0.78 | AR (0.55) | PIN1CA2ADORA3ARHSD11B1 | |
| SCHEMBL6912722 | 0.78 | CA2 (0.41) | CA2ADORA3ARHSD11B1AKR1C3 | |
| SCHEMBL9074495 | 0.77 | CA2 (0.39) | PIN1CA2ADORA3ARHSD11B1 | |
| Salicylic Acid SCHEMBL7597669 | 0.77 | ALDH1A1 (0.50) | CYP2C9PIN1CA2ADORA3AR | |
| Flavane SCHEMBL29083304 | 0.77 | ESR1 (0.49) | ADORA3ARKDM4EFFAR1ESR1 | |
| Flavane SCHEMBL28936320 | 0.77 | ESR1 (0.46) | ADORA3ARALDH1A1KDM4EFFAR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2598493-A1 | MATRIX METALLOPROTEINASE INHIBITORS | Ranbaxy Laboratories Limited (IN) | 2013-06-05 | — | — | EP | disclosed |
| WO-2012014114-A1 | MATRIX METALLOPROTEINASE INHIBITORS | RANBAXY LABORATORIES LIMITED (IN) | 2012-02-02 | — | — | WO | disclosed |