Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.41 |
| ▸ | SLC6A12 | P48065 | 3/20 | 0.36 |
| ▸ | SLC6A11 | P48066 | 3/20 | 0.36 |
| ▸ | SLC6A13 | Q9NSD5 | 3/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
| ▸ | MMP2 | P08253 | 2/20 | 0.35 |
| ▸ | MMP9 | P14780 | 2/20 | 0.35 |
| ▸ | CA12 | O43570 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | CA9 | Q16790 | 2/20 | 0.35 |
| ▸ | MMP1 | P03956 | 1/20 | 0.35 |
| ▸ | MMP3 | P08254 | 1/20 | 0.35 |
| ▸ | MMP8 | P22894 | 1/20 | 0.35 |
| ▸ | MMP13 | P45452 | 1/20 | 0.35 |
| ▸ | NOS2 | P35228 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Carbamic Acid SCHEMBL1766142 | 1.00 | THRB (0.53) | THRBMEN1KMT2AACHEGABRR1 | |
| Carbamic Acid SCHEMBL1766141 | 1.00 | THRB (0.53) | THRBMEN1KMT2AACHEGABRR1 | |
| Bicarbonate SCHEMBL10933373 | 0.84 | THRB (0.67) | THRBMEN1KMT2AGABRR1SLC6A12 | |
| Carbamic Acid SCHEMBL578618 | 0.84 | — | — | |
| Oxalic Acid SCHEMBL29391927 | 0.81 | THRB (0.62) | THRBMEN1KMT2AGABRR1SLC6A12 | |
| Oxalic Acid SCHEMBL27944932 | 0.81 | THRB (0.62) | THRBMEN1KMT2AGABRR1SLC6A12 | |
| SCHEMBL62993 | 0.79 | — | — | |
| SCHEMBL742088 | 0.79 | — | — | |
| SCHEMBL9921636 | 0.79 | — | — | |
| SCHEMBL8761449 | 0.79 | — | — |
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-2319825-A1 | ENZYMATIC SYNTHESIS OF ENANTIOMERICALLY ENRICHED DERIVATIVES OF CIS- AND TRANS-CYCLOPENTANE-1,2-DIAMINES | EntreChem, S.L. (ES) | 2011-05-11 | — | — | EP | disclosed |