Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | CNR1 | P21554 | 1/20 | 0.41 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL320807 | 0.74 | HPGD (0.68) | ALDH1A1HPGDGAAMEN1KMT2A | |
| SCHEMBL10962854 | 0.73 | VNN1 (0.56) | ALDH1A1HPGDCES2CES1AKR1B1 | |
| SCHEMBL8667929 | 0.72 | CES1 (0.41) | ALDH1A1CES2CES1AKR1B1MEN1 | |
| Phenethylcarbamic Acid SCHEMBL249525 | 0.71 | CA12 (0.68) | ALDH1A1HPGDHDAC8HDAC6TAAR1 | |
| SCHEMBL3718010 | 0.70 | ATM (0.60) | ALDH1A1HPGDCES2CES1AKR1B1 | |
| SCHEMBL11279082 | 0.70 | HPGD (0.62) | ALDH1A1HPGDGAAMEN1KMT2A | |
| Phenethylcarbamic Acid SCHEMBL9718519 | 0.70 | CA12 (0.66) | ALDH1A1HPGDHDAC8HDAC6TAAR1 | |
| Phenethylcarbamic Acid SCHEMBL28010696 | 0.70 | CA12 (0.66) | ALDH1A1HPGDHDAC8HDAC6TAAR1 | |
| Phenethylcarbamic Acid SCHEMBL4459966 | 0.70 | CA12 (0.66) | ALDH1A1HPGDHDAC8HDAC6TAAR1 | |
| SCHEMBL28439388 | 0.69 | AKR1B1 (0.48) | CES2CES1AKR1B1GAAMEN1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2081917-A2 | CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF | Abbott Laboratories (US) | 2009-07-29 | — | — | EP | disclosed |
| WO-2008027932-A2 | CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF | ABBOTT LABORATORIES (US) | 2008-03-06 | — | — | WO | disclosed |