Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.58 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.58 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.42 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.42 |
| ▸ | MMP1 | P03956 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | MMP2 | P08253 | 1/20 | 0.42 |
| ▸ | MMP9 | P14780 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL77237 | 0.85 | CA2 (0.52) | TDP1ALDH1A1CYP2A6CA2TSHR | |
| Phenylethyl Alcohol SCHEMBL6322486 | 0.85 | TDP1 (0.76) | TDP1ALDH1A1CYP2A6KEAP1CA2 | |
| Benzaldehyde SCHEMBL28862077 | 0.84 | ALDH1A1 (0.74) | TDP1ALDH1A1CYP2A6MAOAMAOB | |
| Benzaldehyde SCHEMBL27808727 | 0.84 | ALDH1A1 (0.74) | TDP1ALDH1A1CYP2A6MAOAMAOB | |
| Benzaldehyde SCHEMBL29406496 | 0.83 | ALDH1A1 (0.58) | TDP1ALDH1A1CYP2A6MAOAMAOB | |
| Benzaldehyde SCHEMBL6062010 | 0.83 | ALDH1A1 (0.64) | TDP1ALDH1A1CYP2A6MAOAMAOB | |
| Phenylethyl Alcohol SCHEMBL27800287 | 0.83 | TDP1 (0.73) | TDP1ALDH1A1KEAP1CA2TSHR | |
| Phenylethyl Alcohol SCHEMBL27570788 | 0.83 | TDP1 (0.73) | TDP1ALDH1A1CYP2A6KEAP1MAOA | |
| Phenylethyl Alcohol SCHEMBL1867158 | 0.82 | TDP1 (1.00) | TDP1ALDH1A1CYP2A6KEAP1MAOA | |
| Phenylethyl Alcohol SCHEMBL28820852 | 0.82 | TDP1 (1.00) | TDP1ALDH1A1CYP2A6KEAP1MAOA |
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 |
|---|---|---|---|---|---|---|---|
| WO-1999029172-A1 | COMPOSITIONS AND METHODS FOR DETECTING AND KILLING TERMITES | BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITYAND AGRICULTURAL AND MECHANICAL COLLEGE (US) | 1999-06-17 | — | — | WO | disclosed |