Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.62 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.62 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.62 |
| ▸ | HPGD | P15428 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.50 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.50 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.50 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.50 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.50 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.50 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.50 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.50 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.50 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.50 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.50 |
| ▸ | TPSAB1 | Q15661 | 1/20 | 0.50 |
| ▸ | CNR1 | P21554 | 2/20 | 0.49 |
| ▸ | CNR2 | P34972 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL26847172 | 0.86 | NPC1 (0.46) | CYP3A4CYP2C19L3MBTL1HPGDALDH1A1 | |
| SCHEMBL12992173 | 0.84 | CYP3A4 (0.68) | CYP3A4CYP2C19L3MBTL1HPGDALDH1A1 | |
| SCHEMBL12127405 | 0.83 | CNR1 (0.67) | CYP3A4CYP2C19L3MBTL1ALDH1A1CNR1 | |
| SCHEMBL18134836 | 0.82 | CYP3A4 (0.65) | CYP3A4CYP2C19L3MBTL1HPGDALDH1A1 | |
| SCHEMBL17335992 | 0.81 | CYP3A4 (0.63) | CYP3A4CYP2C19L3MBTL1HPGDALDH1A1 | |
| SCHEMBL21648725 | 0.80 | CA1 (0.59) | HPGDALDH1A1TPSAB1 | |
| SCHEMBL4772495 | 0.79 | L3MBTL1 (0.61) | CYP3A4CYP2C19L3MBTL1HPGDALDH1A1 | |
| SCHEMBL8269663 | 0.79 | HPGD (0.81) | CYP3A4CYP2C19L3MBTL1HPGDALDH1A1 | |
| SCHEMBL6824244 | 0.79 | CYP3A4 (0.66) | CYP3A4CYP2C19L3MBTL1HPGDALDH1A1 | |
| SCHEMBL28313230 | 0.79 | HPGD (0.81) | CYP3A4CYP2C19L3MBTL1HPGDALDH1A1 |
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-2015179823-A2 | LUNG LOCALIZED INHIBITORS OF ALPHA(V)BETA 6 | THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH (US) | 2015-11-26 | — | — | WO | disclosed |