Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.56 |
| ▸ | CA1 | P00915 | 2/20 | 0.56 |
| ▸ | CA9 | Q16790 | 2/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.56 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | TP53 | P04637 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
| ▸ | MMP1 | P03956 | 1/20 | 0.52 |
| ▸ | MMP3 | P08254 | 1/20 | 0.52 |
| ▸ | MMP8 | P22894 | 1/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL55421 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL2686905 | 0.97 | CA12 (0.54) | CA12CA1CA9SMN1; SMN2MEN1 | |
| SCHEMBL1291157 | 0.90 | MEN1 (0.58) | CA12CA1CA9SMN1; SMN2MEN1 | |
| Formic Acid SCHEMBL18578706 | 0.90 | SMN1; SMN2 (0.48) | CA12CA1CA9SMN1; SMN2MEN1 | |
| SCHEMBL7962619 | 0.90 | KMT2A (0.71) | SMN1; SMN2MEN1TP53KMT2ATSHR | |
| SCHEMBL31758693 | 0.88 | MEN1 (0.56) | CA12CA1CA9SMN1; SMN2MEN1 | |
| SCHEMBL2678907 | 0.84 | KMT2A (0.83) | SMN1; SMN2MEN1TP53KMT2ATSHR | |
| SCHEMBL908027 | 0.83 | — | — | |
| Biphenyl SCHEMBL27551921 | 0.82 | RAB9A (0.63) | SMN1; SMN2TP53KMT2ATSHRHSD17B10 | |
| Dioxane SCHEMBL28104333 | 0.81 | MEN1 (0.48) | CA12CA1CA9SMN1; SMN2MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102245183-A | New compounds v | BIOVITRUM AB PUBL | 2011-11-16 | — | — | CN | disclosed |