Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | KDM1A | O60341 | 1/20 | 0.40 |
| ▸ | RCOR1 | Q9UKL0 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | CYP26B1 | Q9NR63 | 3/20 | 0.36 |
| ▸ | CYP26A1 | O43174 | 2/20 | 0.36 |
| ▸ | RXRA | P19793 | 2/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 4/20 | 0.36 |
| ▸ | OPRD1 | P41143 | 4/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 4/20 | 0.36 |
| ▸ | OPRL1 | P41146 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 3/20 | 0.32 |
| ▸ | CNR2 | P34972 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL18123696 | 0.92 | RXRA (0.39) | ALDH1A1TDP1KDM1ARCOR1MAPK1 | |
| SCHEMBL13623088 | 0.91 | CYP2A6 (0.40) | ALDH1A1TDP1MAPK1CYP26B1CYP26A1 | |
| SCHEMBL11616948 | 0.87 | CYP26A1 (0.39) | CYP26B1CYP26A1RXRAOPRM1OPRK1 | |
| SCHEMBL12436887 | 0.79 | OPRM1 (0.46) | CYP26B1CYP26A1RXRAOPRM1OPRD1 | |
| SCHEMBL7935992 | 0.79 | TSHR (0.40) | ALDH1A1KDM1ARCOR1MAPK1CYP26B1 | |
| SCHEMBL8121006 | 0.78 | RXRA (0.41) | RXRAOPRM1OPRK1OPRL1 | |
| SCHEMBL23198889 | 0.76 | OPRM1 (0.52) | ALDH1A1TDP1KDM1ARCOR1MAPK1 | |
| SCHEMBL14804313 | 0.76 | OPRM1 (0.52) | ALDH1A1TDP1KDM1ARCOR1MAPK1 | |
| SCHEMBL14804316 | 0.76 | OPRM1 (0.52) | ALDH1A1TDP1KDM1ARCOR1MAPK1 | |
| SCHEMBL9792504 | 0.75 | NOTUM (0.39) | CYP26B1CYP26A1RXRALMNACNR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0730566-B1 | SELECTIVELY FLUORINATED ORGANIC COMPOUNDS | F2 CHEMICALS LTD (GB) | 2001-09-19 | — | — | EP | disclosed |