Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.64 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.64 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.64 |
| ▸ | POLB | P06746 | 2/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.64 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.64 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.64 |
| ▸ | HPGD | P15428 | 1/20 | 0.64 |
| ▸ | ATM | Q13315 | 1/20 | 0.64 |
| ▸ | RAB9A | P51151 | 4/20 | 0.60 |
| ▸ | VNN1 | O95497 | 3/20 | 0.60 |
| ▸ | NPC1 | O15118 | 3/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.54 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | BCHE | P06276 | 1/20 | 0.53 |
| ▸ | ACHE | P22303 | 1/20 | 0.53 |
| ▸ | MMP13 | P45452 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL13210601 | 0.91 | ALDH1A1 (0.68) | ALDH1A1L3MBTL1CYP1A2POLBCYP3A4 | |
| SCHEMBL15331434 | 0.80 | ALDH1A1 (0.64) | ALDH1A1L3MBTL1CYP1A2POLBCYP3A4 | |
| SCHEMBL3098294 | 0.80 | MEN1 (0.77) | ALDH1A1L3MBTL1CYP1A2POLBCYP3A4 | |
| SCHEMBL30465779 | 0.80 | VNN1 (0.70) | RAB9AVNN1NPC1KMT2AHDAC1 | |
| SCHEMBL15259162 | 0.78 | EPHX2 (0.45) | L3MBTL1EPHX2NR1H4SMN1; SMN2HDAC1 | |
| SCHEMBL9416606 | 0.78 | NPC1 (0.82) | ALDH1A1L3MBTL1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL11761142 | 0.78 | NPC1 (0.82) | ALDH1A1L3MBTL1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL8868113 | 0.77 | P4HTM (0.67) | ALDH1A1L3MBTL1CYP1A2POLBCYP3A4 | |
| SCHEMBL3688883 | 0.77 | OPRM1 (0.80) | VNN1 | |
| SCHEMBL27962856 | 0.76 | RAB9A (0.70) | ALDH1A1L3MBTL1CYP1A2POLBCYP3A4 |
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-2300433-A1 | HIV INTEGRASE INHIBITORS FROM PYRIDOXINE | Ambrilia Biopharma Inc. (CA) | 2011-03-30 | — | — | EP | disclosed |