Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.61 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.61 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.49 |
| ▸ | KIF11 | P52732 | 2/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | TTR | P02766 | 1/20 | 0.42 |
| ▸ | BCHE | P06276 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.42 |
| ▸ | RELA | Q04206 | 1/20 | 0.42 |
| ▸ | SERPINE1 | P05121 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL8784660 | 0.86 | CA4 (0.54) | TRPA1KIF11KCNH2CA4LTA4H | |
| SCHEMBL774134 | 0.86 | CA4 (0.54) | TRPA1KIF11KCNH2CA4LTA4H | |
| Bromide SCHEMBL31164184 | 0.84 | CA4 (0.52) | TRPA1KIF11KCNH2CA4LTA4H | |
| Hydrochloric Acid SCHEMBL30389842 | 0.84 | CA4 (0.52) | ALDH1A1TRPA1KIF11KCNH2CYP3A4 | |
| Anisaldehyde SCHEMBL6814373 | 0.82 | ALDH1A1 (0.83) | ALDH1A1CYP2A6TRPA1TTRBCHE | |
| Anisaldehyde SCHEMBL20357563 | 0.82 | ALDH1A1 (0.83) | ALDH1A1CYP2A6TRPA1TTRBCHE | |
| SCHEMBL19214411 | 0.79 | ALDH1A1 (0.76) | ALDH1A1CYP2A6TRPA1TTRCYP3A4 | |
| Biphenyl SCHEMBL10800283 | 0.79 | ALDH1A1 (0.76) | ALDH1A1CYP2A6TRPA1TTRBCHE | |
| Anisaldehyde SCHEMBL717471 | 0.78 | ALDH1A1 (1.00) | ALDH1A1CYP2A6TRPA1TTRCYP3A4 | |
| SCHEMBL8784562 | 0.78 | CA1 (0.58) | ALDH1A1CYP3A4LMNAMEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-8461124-B2 | Five- and six-membered conformationally locked 2′,4′-carbocyclic ribo-thymidines for the treatment of infections and cancer | CHATTOPADHYAYA JYOTI (SE) | 2013-06-11 | — | — | US | claimed |