Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.67 |
| ▸ | TSHR | P16473 | 1/20 | 0.67 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.67 |
| ▸ | ALOX15 | P16050 | 4/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.52 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | MIF | P14174 | 1/20 | 0.52 |
| ▸ | TYR | P14679 | 1/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | ATP2A2 | P16615 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | ATP2A3 | Q93084 | 1/20 | 0.45 |
| ▸ | GSTA1 | P08263 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL396749 | 0.90 | ALDH1A1 (0.61) | ALDH1A1TSHRTDP1ALOX15CYP2C9 | |
| SCHEMBL51803 | 0.82 | ALDH1A1 (1.00) | ALDH1A1TSHRTDP1ALOX15CYP2C9 | |
| SCHEMBL22729938 | 0.82 | ALDH1A1 (1.00) | ALDH1A1TSHRTDP1ALOX15CYP2C9 | |
| SCHEMBL29358279 | 0.82 | ALDH1A1 (1.00) | ALDH1A1TSHRTDP1ALOX15CYP2C9 | |
| SCHEMBL23542116 | 0.80 | ALDH1A1 (0.95) | ALDH1A1TSHRTDP1ALOX15CYP2C9 | |
| Bromide SCHEMBL6853237 | 0.80 | ALDH1A1 (0.95) | ALDH1A1TSHRTDP1ALOX15CYP2C9 | |
| Methane SCHEMBL6234286 | 0.80 | ALDH1A1 (0.95) | ALDH1A1TSHRTDP1ALOX15CYP2C9 | |
| Ethane SCHEMBL8319752 | 0.80 | ALDH1A1 (0.95) | ALDH1A1TSHRTDP1ALOX15CYP2C9 | |
| Iodide SCHEMBL1515695 | 0.80 | ALDH1A1 (0.95) | ALDH1A1TSHRTDP1ALOX15CYP2C9 | |
| Hydrogen Sulfide SCHEMBL15667759 | 0.80 | ALDH1A1 (0.95) | ALDH1A1TSHRTDP1ALOX15CYP2C9 |
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 |