Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | UNG | P13051 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | SRC | P12931 | 1/20 | 0.37 |
| ▸ | HTR7 | P34969 | 1/20 | 0.37 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.36 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 5/20 | 0.36 |
| ▸ | MAOB | P27338 | 5/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
| ▸ | CDK8 | P49336 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL630874 | 0.80 | MEN1 (0.42) | ALDH1A1RAB9A | |
| SCHEMBL4098066 | 0.75 | ALDH1A1 (0.54) | ALDH1A1UNGCYP2A6SRCHTR7 | |
| SCHEMBL8724149 | 0.75 | UNG (0.48) | ALDH1A1UNGCYP2A6SRCHTR7 | |
| SCHEMBL19481503 | 0.75 | ALDH1A1 (0.48) | ALDH1A1UNGCYP2A6SRCHTR7 | |
| SCHEMBL29951547 | 0.75 | UNG (0.48) | ALDH1A1UNGCYP2A6SRCHTR7 | |
| SCHEMBL9609000 | 0.75 | ALDH1A1 (0.48) | ALDH1A1UNGCYP2A6SRCHTR7 | |
| SCHEMBL95532 | 0.75 | ALDH1A1 (0.48) | ALDH1A1UNGCYP2A6SRCHTR7 | |
| SCHEMBL29712437 | 0.73 | ALDH1A1 (0.60) | ALDH1A1UNGCYP2A6HTR7TRIM24 | |
| SCHEMBL416655 | 0.73 | ALDH1A1 (0.60) | ALDH1A1UNGCYP2A6HTR7TRIM24 | |
| SCHEMBL1172183 | 0.72 | CYP1A2 (0.54) | 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 |
|---|---|---|---|---|---|---|---|
| US-6362210-B1 | ANTITUMOR, ANTICANCER AGENT | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2002-03-26 | — | — | US | disclosed |