Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.33 |
| ▸ | HTR5A | P47898 | 1/20 | 0.33 |
| ▸ | METAP1 | P53582 | 2/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | PARP10 | Q53GL7 | 2/20 | 0.32 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.32 |
| ▸ | PARP1 | P09874 | 1/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.30 |
| ▸ | MAOB | P27338 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | THRB | P10828 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.30 |
| ▸ | TRPA1 | O75762 | 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 | |
|---|---|---|---|---|
| SCHEMBL385687 | 0.83 | METAP1 (0.36) | CYP1A2CYP2A6HTR5AMETAP1ACHE | |
| SCHEMBL7795105 | 0.74 | PNMT (0.34) | METAP1PARP10PARP11TRPA1 | |
| SCHEMBL7790645 | 0.74 | AHR (0.37) | HTR5AMETAP1TP53CYP3A4ALOX15 | |
| SCHEMBL7790639 | 0.74 | HTR5A (0.34) | HTR5A | |
| SCHEMBL20528826 | 0.65 | TRPA1 (0.34) | PARP1MAOBTRPA1 | |
| SCHEMBL8343541 | 0.65 | TRPA1 (0.34) | PARP1MAOBTRPA1 | |
| SCHEMBL9621037 | 0.64 | CYP3A4 (0.48) | ACHEMAOAMAOBCYP3A4ALOX15 | |
| SCHEMBL9413877 | 0.64 | — | — | |
| SCHEMBL7776545 | 0.62 | METAP1 (0.37) | CYP1A2CYP2A6METAP1ACHEPARP10 | |
| SCHEMBL4856868 | 0.62 | CYP1A2 (0.35) | CYP1A2CYP2A6HTR5AMETAP1ACHE |
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 |