Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 9/20 | 1.00 |
| ▸ | CA1 | P00915 | 7/20 | 1.00 |
| ▸ | CA12 | O43570 | 6/20 | 1.00 |
| ▸ | CA7 | P43166 | 2/20 | 1.00 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 1.00 |
| ▸ | CA9 | Q16790 | 5/20 | 0.64 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.61 |
| ▸ | CA5A | P35218 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | ATM | Q13315 | 1/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | ENPP1 | P22413 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | IDO1 | P14902 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL49549 | 1.00 | CA2 (1.00) | CA2CA1CA12CA7CA14 | |
| SCHEMBL3648128 | 0.98 | CA2 (0.96) | CA2CA1CA12CA7CA14 | |
| Fluoride SCHEMBL4755725 | 0.98 | CA2 (0.96) | CA2CA1CA12CA7CA14 | |
| SCHEMBL2071581 | 0.89 | CA2 (0.79) | CA2CA1CA12CA7CA14 | |
| Benzyl(Benzylsulfamoyl)Amine SCHEMBL2298224 | 0.81 | CA12 (1.00) | CA2CA1CA12CA7CA14 | |
| SCHEMBL14380626 | 0.78 | MEN1 (0.70) | CA2CA1CA12CA7CA14 | |
| SCHEMBL1870820 | 0.78 | CA1 (0.66) | CA2CA1CA12CA7CA14 | |
| SCHEMBL16479548 | 0.78 | CA2 (0.66) | CA2CA1CA12CA7CA14 | |
| SCHEMBL14380636 | 0.78 | CA2 (0.66) | CA2CA1CA12CA7CA14 | |
| SCHEMBL4901848 | 0.78 | CA2 (0.64) | CA2CA1CA12CA7CA14 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104844490-A | Method for greenly synthesizing isothiocyanate through two-step method | UNIV CHANGZHOU | 2015-08-19 | — | — | CN | disclosed |
| CN-103102296-B | Method for synthesizing isothiocyanate by two steps | UNIV CHANGZHOU | 2014-12-17 | — | — | CN | disclosed |