Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A1 | P30531 | 16/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.66 |
| ▸ | LMNA | P02545 | 2/20 | 0.66 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.66 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.66 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.66 |
| ▸ | TSHR | P16473 | 1/20 | 0.66 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.66 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.66 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.66 |
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 | |
|---|---|---|---|---|
| SCHEMBL10406899 | 1.00 | SLC6A1 (0.67) | SLC6A1ALDH1A1LMNACYP1A2CYP2D6 | |
| SCHEMBL8819494 | 0.92 | SLC6A1 (0.78) | SLC6A1ALDH1A1LMNACYP1A2CYP2D6 | |
| SCHEMBL8819489 | 0.92 | SLC6A1 (0.78) | SLC6A1ALDH1A1LMNACYP1A2CYP2D6 | |
| SCHEMBL10406600 | 0.92 | SLC6A1 (0.78) | SLC6A1ALDH1A1LMNACYP1A2CYP2D6 | |
| SCHEMBL10406601 | 0.92 | SLC6A1 (0.78) | SLC6A1ALDH1A1LMNACYP1A2CYP2D6 | |
| Hydrochloric Acid SCHEMBL9525987 | 0.91 | ALDH1A1 (0.78) | SLC6A1ALDH1A1LMNACYP1A2CYP2D6 | |
| Hydrochloric Acid SCHEMBL9525980 | 0.91 | ALDH1A1 (0.78) | SLC6A1ALDH1A1LMNACYP1A2CYP2D6 | |
| SCHEMBL7358084 | 0.90 | SLC6A1 (0.69) | SLC6A1ALDH1A1LMNACYP1A2CYP2D6 | |
| Hydrochloric Acid SCHEMBL10968132 | 0.87 | ALDH1A1 (0.80) | SLC6A1ALDH1A1LMNACYP1A2CYP2D6 | |
| Hydrochloric Acid SCHEMBL10965807 | 0.86 | ALDH1A1 (0.87) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4931450-A | Amino acid derivatives | NOVO INDUSTRI A/S (DK) | 1990-06-05 | — | — | US | disclosed |