Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 5/20 | 0.49 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | CASP1 | P29466 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | CASP7 | P55210 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | WEE1 | P30291 | 1/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 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 | |
|---|---|---|---|---|
| SCHEMBL29114864 | 0.81 | DHFR (0.51) | DHFRADORA2AADORA1 | |
| SCHEMBL4462841 | 0.80 | DHFR (0.56) | DHFRKDM4EMAPTALDH1A1TP53 | |
| SCHEMBL9830078 | 0.76 | DHFR (0.51) | DHFRHTT | |
| Hydrochloric Acid SCHEMBL9830813 | 0.75 | DHFR (0.50) | DHFRHTT | |
| Hydrochloric Acid SCHEMBL30468477 | 0.74 | ASIC3 (0.50) | DHFR | |
| SCHEMBL6555239 | 0.73 | DHFR (0.51) | DHFR | |
| SCHEMBL30329901 | 0.70 | DYRK1A (0.57) | DHFRKDM4EMAPT | |
| SCHEMBL8525161 | 0.70 | MAPT (0.65) | CA12CA1CA2CA9KDM4E | |
| SCHEMBL20658532 | 0.70 | ADORA2A (0.50) | CA12CA1CA2CA9KDM4E | |
| SCHEMBL4533554 | 0.70 | CDK2 (0.52) | KDM4EMAPTALDH1A1ADORA2A |
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-2008079907-A1 | COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY | RIGEL PHARMACEUTICALS, INC. (US) | 2008-07-03 | — | — | WO | claimed |