Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A1 | P30531 | 9/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.51 |
| ▸ | PDE4A | P27815 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL8936262 | 0.91 | SLC6A1 (0.57) | SLC6A1ALDH1A1LMNACYP1A2CYP2D6 | |
| Hydrochloric Acid SCHEMBL8936282 | 0.90 | SLC6A1 (0.58) | SLC6A1ALDH1A1LMNACYP1A2CYP2D6 | |
| SCHEMBL5498837 | 0.90 | SLC6A1 (0.60) | SLC6A1ALDH1A1LMNACYP1A2CYP2D6 | |
| SCHEMBL6696529 | 0.90 | SLC6A1 (0.60) | SLC6A1ALDH1A1LMNACYP1A2CYP2D6 | |
| SCHEMBL3063792 | 0.90 | SLC6A1 (0.60) | SLC6A1ALDH1A1LMNACYP1A2CYP2D6 | |
| Hydrochloric Acid SCHEMBL8196337 | 0.89 | ALDH1A1 (0.60) | SLC6A1ALDH1A1LMNACYP1A2CYP2D6 | |
| Hydrochloric Acid SCHEMBL6956415 | 0.89 | ALDH1A1 (0.60) | SLC6A1ALDH1A1LMNACYP1A2CYP2D6 | |
| SCHEMBL8936283 | 0.88 | SLC6A1 (0.48) | SLC6A1ALDH1A1LMNACYP1A2CYP2D6 | |
| SCHEMBL8936277 | 0.88 | SLC6A1 (0.48) | SLC6A1ALDH1A1LMNACYP1A2CYP2D6 | |
| SCHEMBL7605820 | 0.82 | SLC6A1 (0.52) | SLC6A1ALDH1A1LMNACYP1A2CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1996031469-A1 | N-SUBSTITUTED AZAHETEROCYCLIC CARBOXYLIC ACIDS AND ESTERS THEREOF | NOVO NORDISK A/S (DK) | 1996-10-10 | — | — | WO | claimed |
| WO-1996031469-A1 | N-SUBSTITUTED AZAHETEROCYCLIC CARBOXYLIC ACIDS AND ESTERS THEREOF | NOVO NORDISK A/S (DK) | 1996-10-10 | — | — | WO | disclosed |