Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL12108374 | 1.00 | CYP2C9 (0.42) | CYP2C9EPHX1CA1CA9TDP1 | |
| SCHEMBL12108375 | 0.90 | CYP2C9 (0.41) | CYP2C9EPHX1CA1CA9TDP1 | |
| SCHEMBL12108376 | 0.90 | CYP2C9 (0.41) | CYP2C9EPHX1CA1CA9TDP1 | |
| SCHEMBL16804841 | 0.81 | CA1 (0.36) | CA1CA9TDP1 | |
| SCHEMBL16804836 | 0.81 | CA1 (0.36) | CA1CA9TDP1 | |
| SCHEMBL12104240 | 0.77 | TSHR (0.42) | CYP2C9CA1CA9TSHRL3MBTL1 | |
| SCHEMBL12104249 | 0.77 | TSHR (0.42) | CYP2C9CA1CA9TSHRL3MBTL1 | |
| SCHEMBL3628734 | 0.74 | CA1 (0.40) | CA1CA9CYP1A2 | |
| SCHEMBL29222650 | 0.72 | CA1 (0.35) | CA1CA9CYP1A2 | |
| SCHEMBL18302606 | 0.72 | CA1 (0.37) | CA1CA9TSHRL3MBTL1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| WO-2014160200-A9 | RAS INHIBITORS AND USES THEREOF | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2014-11-27 | — | — | WO | disclosed |
| WO-2014160200-A1 | RAS INHIBITORS AND USES THEREOF | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2014-10-02 | — | — | WO | disclosed |