Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | AHR | P35869 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.31 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.31 |
| ▸ | S100A4 | P26447 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | BACE1 | P56817 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7784962 | 0.90 | CA12 (0.34) | CA12CA2CA9CYP2A6HTR2C | |
| SCHEMBL1042356 | 0.78 | — | — | |
| SCHEMBL28330225 | 0.68 | CYP1A2 (0.36) | CYP2A6ALOX15ALDH1A1TDP1 | |
| SCHEMBL6537058 | 0.67 | HSD17B1 (0.39) | CA12CA2CA9MEN1KMT2A | |
| SCHEMBL26882 | 0.65 | TRPA1 (0.40) | CYP2A6ALDH1A1MAPK1L3MBTL1MAPT | |
| SCHEMBL27314310 | 0.65 | ALDH1A1 (0.42) | CYP2A6ALOX15ALDH1A1MAPK1TDP1 | |
| SCHEMBL15351968 | 0.64 | TRPA1 (0.35) | HTR2CAHRTDP1L3MBTL1 | |
| SCHEMBL7782887 | 0.64 | PNMT (0.34) | — | |
| SCHEMBL27978596 | 0.64 | ALDH1A1 (0.40) | CYP2A6ALOX15ALDH1A1MAPK1TDP1 | |
| SCHEMBL28041918 | 0.64 | CYP1A2 (0.32) | CYP2A6 |
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-1155698-A1 | ORGANOBORON COMPOUNDS EXHIBITING ANTICOCCIDIAL ACTIVITIES | Nitto Kasei Co., Ltd. (JP) | 2001-11-21 | — | — | EP | disclosed |