Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7793769 | 0.81 | CYP1A2 (0.36) | CYP1A2CYP2A6TSHRLMNAALDH1A1 | |
| SCHEMBL218296 | 0.71 | CYP2A6 (0.36) | CYP1A2CYP2A6TSHRALDH1A1 | |
| SCHEMBL7793683 | 0.71 | CES2 (0.31) | — | |
| SCHEMBL7784987 | 0.71 | — | — | |
| SCHEMBL27311536 | 0.70 | CYP1A2 (0.31) | CYP1A2CYP2A6ALDH1A1 | |
| SCHEMBL6537045 | 0.70 | ALDH1A1 (0.30) | CYP2A6ALDH1A1 | |
| SCHEMBL4622985 | 0.69 | CYP1A2 (0.30) | CYP1A2CYP2A6 | |
| SCHEMBL27340902 | 0.68 | ACHE (0.31) | — | |
| SCHEMBL5082813 | 0.67 | ALDH1A1 (0.37) | CYP2A6ALDH1A1TDP1 | |
| SCHEMBL7794612 | 0.67 | ALDH1A1 (0.35) | ALDH1A1 |
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 |