Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FKBP5 | Q13451 | 1/20 | 0.70 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.36 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.36 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.36 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.36 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.36 |
| ▸ | DAO | P14920 | 1/20 | 0.35 |
| ▸ | AURKA | O14965 | 1/20 | 0.35 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.35 |
| ▸ | INCENP | Q9NQS7 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 2/20 | 0.35 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Acetone SCHEMBL27901178 | 0.91 | FKBP5 (0.76) | FKBP5NOTUMNAPRTDAOAURKA | |
| Acetic Acid SCHEMBL5993449 | 0.89 | FKBP5 (0.73) | FKBP5NOTUMNAPRTDAOBLM | |
| SCHEMBL28869414 | 0.87 | FKBP5 (0.70) | FKBP5NOTUMNAPRTCSNK1A1TYRO3 | |
| Methyl Alcohol SCHEMBL28775298 | 0.86 | — | — | |
| Ethane SCHEMBL5943177 | 0.84 | — | — | |
| SCHEMBL9596 | 0.83 | — | — | |
| SCHEMBL27324502 | 0.83 | FKBP5 (1.00) | FKBP5NOTUMNAPRTDAOAURKA | |
| Acetic Acid SCHEMBL7131592 | 0.83 | FKBP5 (0.64) | FKBP5NOTUMNAPRTDAOALDH1A1 | |
| Acetic Acid SCHEMBL7131593 | 0.83 | FKBP5 (0.64) | FKBP5NOTUMNAPRTDAOALDH1A1 | |
| SCHEMBL692817 | 0.81 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1179022-A2 | BUFORNIN 1 AS A SPECIFIC INHIBITOR AND THERAPEUTIC AGENT FOR BOTULINUM TOXIN B AND TETANUS NEUROTOXINS | Department of the Army (US) | 2002-02-13 | — | — | EP | claimed |
| WO-2000069895-A2 | BUFORNIN 1 AS A SPECIFIC INHIBITOR AND THERAPEUTIC AGENT FOR BOTULINUM TOXIN B AND TETANUS NEUROTOXINS | U.S. ARMY MEDICAL RESEARCH AND MATERIAL COMMAND (US) | 2000-11-23 | — | — | WO | claimed |