Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 8/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.45 |
| ▸ | MBTD1 | Q05BQ5 | 1/20 | 0.45 |
| ▸ | L3MBTL3 | Q96JM7 | 1/20 | 0.45 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | DHFR | P00374 | 2/20 | 0.43 |
| ▸ | NOS3 | P29474 | 1/20 | 0.42 |
| ▸ | NOS1 | P29475 | 1/20 | 0.42 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL265809 | 0.81 | LTA4H (0.55) | HRH3 | |
| SCHEMBL1935597 | 0.77 | DHFR (0.51) | DHFR | |
| SCHEMBL17907568 | 0.76 | LMNA (0.54) | DHFR | |
| SCHEMBL14694265 | 0.76 | DHFR (0.58) | L3MBTL1DHFR | |
| SCHEMBL264111 | 0.74 | HRH3 (0.56) | HRH3DHFR | |
| SCHEMBL2237239 | 0.74 | DHFR (0.54) | HRH3DHFR | |
| Hydrochloric Acid SCHEMBL1935888 | 0.72 | DHFR (0.53) | HRH3DHFR | |
| SCHEMBL29157674 | 0.72 | DHFR (0.57) | DHFRMCHR1 | |
| SCHEMBL2761916 | 0.71 | HRH3 (0.71) | HRH3CYP1A2CYP3A4L3MBTL1MBTD1 | |
| SCHEMBL2762024 | 0.71 | HRH3 (0.71) | HRH3CYP1A2CYP3A4L3MBTL1MBTD1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009017838-A2 | COMBINATIONS OF JAK-2 INHIBITORS AND OTHER AGENTS | EXELIXIS, INC. (US) | 2009-02-05 | — | — | WO | claimed |