Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYMS | P04818 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CA4 | P22748 | 1/20 | 0.42 |
| ▸ | CA6 | P23280 | 1/20 | 0.42 |
| ▸ | CA5A | P35218 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.42 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.40 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.40 |
| ▸ | NQO1 | P15559 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 4/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29940664 | 0.82 | ALDH1A1 (0.49) | TYMS | |
| SCHEMBL393640 | 0.82 | ALDH1A1 (0.49) | TYMS | |
| SCHEMBL10071512 | 0.74 | NQO1 (0.54) | TYMSLMNAMAPTESR2HSD17B10 | |
| SCHEMBL25513924 | 0.74 | LMNA (0.40) | TYMSCA12CA1CYP1A2CA4 | |
| SCHEMBL6391911 | 0.72 | BRD4 (0.64) | TYMSLMNAMAPTESR2HSD17B10 | |
| SCHEMBL12090647 | 0.72 | MAOB (0.67) | MAOAMAOBDRD2 | |
| SCHEMBL11332415 | 0.72 | TSHR (0.56) | TSHRTDP1 | |
| SCHEMBL7962682 | 0.71 | CYP11B1 (0.49) | TYMSCA12CA1CYP1A2CA4 | |
| SCHEMBL227927 | 0.71 | AR (0.46) | MAOBDRD2 | |
| SCHEMBL2359575 | 0.70 | MAOB (0.61) | CYP1A2LMNAMAPTESR2HSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2441753-A1 | TETRACYCLIC COMPOUND | Chugai Seiyaku Kabushiki Kaisha (JP) | 2012-04-18 | — | — | EP | disclosed |