Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | FDPS | P14324 | 1/20 | 0.30 |
| ▸ | RECQL | P46063 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1086791 | 0.78 | CYP3A4 (0.42) | CYP3A4L3MBTL1ALDH1A1TDP1TSHR | |
| SCHEMBL9770807 | 0.77 | CYP3A4 (0.38) | CYP3A4L3MBTL1ALDH1A1TDP1TSHR | |
| SCHEMBL1230591 | 0.77 | CYP3A4 (0.38) | CYP3A4L3MBTL1ALDH1A1TDP1TSHR | |
| SCHEMBL1230593 | 0.75 | ALDH1A1 (0.38) | CYP3A4L3MBTL1ALDH1A1TDP1TSHR | |
| SCHEMBL1863462 | 0.73 | — | — | |
| SCHEMBL9470467 | 0.68 | ALDH1A1 (0.48) | CYP3A4L3MBTL1ALDH1A1TDP1TSHR | |
| SCHEMBL4087826 | 0.68 | SMPD1 (0.36) | FDPS | |
| SCHEMBL7625252 | 0.67 | ALDH1A1 (0.47) | CYP3A4L3MBTL1ALDH1A1TDP1TSHR | |
| SCHEMBL37145 | 0.66 | CYP3A4 (0.55) | CYP3A4L3MBTL1ALDH1A1TDP1TSHR | |
| SCHEMBL37425 | 0.66 | FDPS (0.49) | CYP3A4L3MBTL1ALDH1A1TDP1TSHR |
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-5006254-A | Extraction with halogenated beta-diketone | RHONE-POULENC CHIMIE (FR) | 1991-04-09 | — | — | US | disclosed |