Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | MIF | P14174 | 1/20 | 0.53 |
| ▸ | TYR | P14679 | 1/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
| ▸ | GAA | P10253 | 2/20 | 0.51 |
| ▸ | ESRRA | P11474 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | NR1H4 | Q96RI1 | 4/20 | 0.43 |
| ▸ | ATM | Q13315 | 2/20 | 0.43 |
| ▸ | XBP1 | P17861 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | THRA | P10827 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL5373274 | 0.95 | ALDH1A1 (0.50) | ALDH1A1LMNANR1I2CYP2C9MIF | |
| SCHEMBL5322689 | 0.86 | MAPT (0.47) | LMNACYP2C9GAAMAPTNPSR1 | |
| SCHEMBL26691695 | 0.84 | MAPT (0.50) | LMNACYP2C9GAAMAPTATM | |
| SCHEMBL6074675 | 0.82 | ALDH1A1 (0.51) | ALDH1A1HSD17B10GAAESRRAMAPT | |
| SCHEMBL4598237 | 0.80 | PSEN1 (0.49) | LMNAGAAMAPTL3MBTL1PSEN1 | |
| SCHEMBL25331426 | 0.79 | ESRRA (0.57) | ALDH1A1LMNANR1I2CYP2C9MIF | |
| SCHEMBL4398454 | 0.79 | CA2 (0.49) | ALDH1A1LMNACYP2C9TYRALOX15 | |
| SCHEMBL11355629 | 0.79 | THRA (0.59) | ALDH1A1LMNAGAAESRRAMAPT | |
| SCHEMBL30440124 | 0.79 | ESRRA (0.57) | ALDH1A1LMNANR1I2CYP2C9MIF | |
| SCHEMBL30737444 | 0.79 | LMNA (0.50) | ALDH1A1LMNACYP2C9GAAMAPT |
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-2005023762-A1 | PYRROLIDINE-2-CARBONITRILE DERIVATIVES AND THEIR USE AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) | ABBOTT LABORATORIES (US) | 2005-03-17 | — | — | WO | disclosed |