Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.52 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.52 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | NOS1 | P29475 | 1/20 | 0.32 |
| ▸ | DAO | P14920 | 1/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.32 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.31 |
| ▸ | FLT3 | P36888 | 1/20 | 0.31 |
| ▸ | PLK3 | Q9H4B4 | 1/20 | 0.31 |
| ▸ | PARP1 | P09874 | 1/20 | 0.31 |
| ▸ | TYMS | P04818 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL1193110 | 0.84 | CYP2A6 (0.48) | CYP1A2CYP2A6NR4A2LMNATYMS | |
| SCHEMBL29629127 | 0.71 | CYP1A2 (1.00) | CYP1A2CYP2A6NR4A2TSHRLMNA | |
| SCHEMBL2468811 | 0.71 | CYP1A2 (1.00) | CYP1A2CYP2A6NR4A2TSHRLMNA | |
| SCHEMBL5602251 | 0.70 | CYP1A2 (0.42) | CYP1A2CYP2A6NR4A2KMT2A | |
| SCHEMBL457356 | 0.70 | CYP1A2 (0.41) | CYP1A2CYP2A6TSHRLMNANOS1 | |
| SCHEMBL307862 | 0.70 | CYP2A6 (0.48) | CYP1A2CYP2A6NR4A2TSHRLMNA | |
| SCHEMBL16586070 | 0.70 | CYP1A2 (0.54) | CYP1A2CYP2A6NR4A2TSHRLMNA | |
| SCHEMBL17698449 | 0.70 | CYP1A2 (0.54) | CYP1A2CYP2A6NR4A2TSHRLMNA | |
| SCHEMBL7081918 | 0.68 | CYP1A2 (0.41) | CYP1A2CYP2A6 | |
| SCHEMBL638983 | 0.68 | CYP1A2 (0.52) | CYP1A2CYP2A6NR4A2TSHRLMNA |
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 |