Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | DPP4 | P27487 | 1/20 | 0.41 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.33 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.33 |
| ▸ | HTR7 | P34969 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.32 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.32 |
| ▸ | PTGER4 | P35408 | 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 | |
|---|---|---|---|---|
| SCHEMBL442875 | 0.76 | MAOA (0.49) | KMT2AHTTNPC1LMNARAB9A | |
| Isothiocyanate SCHEMBL4959827 | 0.74 | DPP4 (0.43) | CA12CA1CA2CA9DPP4 | |
| SCHEMBL6663025 | 0.73 | CA12 (0.40) | CA12CA1CA2CA9DPP4 | |
| SCHEMBL4955280 | 0.72 | DPP4 (0.44) | CA12CA1CA2CA9DPP4 | |
| SCHEMBL6153697 | 0.72 | CA12 (0.41) | CA12CA1CA2CA9DPP4 | |
| SCHEMBL1368412 | 0.69 | ALDH1A1 (0.41) | DPP4PDCD1CD274 | |
| SCHEMBL776889 | 0.69 | DPP4 (0.58) | CA12CA1CA2CA9DPP4 | |
| SCHEMBL775057 | 0.69 | DPP4 (0.58) | CA12CA1CA2CA9DPP4 | |
| SCHEMBL25398438 | 0.68 | DPP4 (0.62) | DPP4KMT2APDCD1CD274HTR7 | |
| SCHEMBL2448737 | 0.68 | ALDH1A1 (0.39) | DPP4KMT2AMAPTHTTL3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1446110-A2 | ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES | Structural Bioinformatics Inc. (US) | 2004-08-18 | — | — | EP | disclosed |
| WO-2003032916-A2 | ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES | STRUCTURAL BIOINFORMATICS INC. (US) | 2003-04-24 | — | — | WO | disclosed |