Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RORB | Q92753 | 8/20 | 0.67 |
| ▸ | RORC | P51449 | 2/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.54 |
| ▸ | KMO | O15229 | 2/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.46 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.46 |
| ▸ | XDH | P47989 | 1/20 | 0.45 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.45 |
| ▸ | CFTR | P13569 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL24508717 | 0.81 | ALDH1A2 (0.50) | RORBRORCSMN1; SMN2KMOKMT2A | |
| SCHEMBL13494111 | 0.80 | RORB (0.50) | RORBRORCKMOKDM4ENPC1 | |
| SCHEMBL269858 | 0.78 | KDM4E (0.53) | RORBRORCSMN1; SMN2KDM4E | |
| SCHEMBL24508648 | 0.78 | KDM4E (0.49) | RORBRORCALDH1A1SMN1; SMN2KMO | |
| SCHEMBL984768 | 0.78 | KDM4E (0.63) | RORBRORCALDH1A1SMN1; SMN2KMO | |
| SCHEMBL8843382 | 0.77 | ALDH1A1 (0.53) | RORBRORCALDH1A1SMN1; SMN2KMO | |
| SCHEMBL11002986 | 0.77 | ALDH1A1 (0.53) | RORBRORCALDH1A1SMN1; SMN2KMO | |
| SCHEMBL11003587 | 0.76 | ALDH1A1 (0.52) | RORBRORCALDH1A1SMN1; SMN2KMO | |
| SCHEMBL11003650 | 0.76 | ALDH1A1 (0.52) | RORBRORCALDH1A1SMN1; SMN2KMO | |
| SCHEMBL11292190 | 0.76 | ALDH1A1 (0.58) | RORBRORCALDH1A1SMN1; SMN2KMO |
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-2022123039-A1 | ALDEHYDE DEHYDROGENASE INHIBITORS AND THEIR THERAPEUTIC USE | CANCER RESEARCH TECHNOLOGY LIMITED (GB) | 2022-06-16 | — | — | WO | disclosed |