Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A1 | P30531 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7363358 | 0.76 | SLC6A1 (0.46) | SLC6A1ALDH1A1 | |
| SCHEMBL7364398 | 0.72 | SLC6A1 (0.43) | SLC6A1ALDH1A1 | |
| SCHEMBL171033 | 0.67 | KMT2A (0.52) | ALDH1A1CYP2D6 | |
| SCHEMBL27481210 | 0.67 | CNR1 (0.57) | ALDH1A1 | |
| Hydrochloric Acid SCHEMBL5394384 | 0.66 | CNR1 (0.56) | ALDH1A1LMNA | |
| SCHEMBL12259378 | 0.65 | ALDH1A1 (0.49) | ALDH1A1CYP2D6TSHRHSD17B10 | |
| SCHEMBL3563641 | 0.65 | ALDH1A1 (0.49) | ALDH1A1CYP2D6TSHRHSD17B10 | |
| SCHEMBL8062721 | 0.65 | ALDH1A1 (0.49) | ALDH1A1CYP2D6TSHRHSD17B10 | |
| SCHEMBL4772875 | 0.64 | SLC6A1 (0.48) | SLC6A1ALDH1A1 | |
| SCHEMBL7358084 | 0.64 | SLC6A1 (0.69) | 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 |
|---|---|---|---|---|---|---|---|
| EP-0236342-A1 | AMINO ACID DERIVATIVES. | NOVO INDUSTRI AS (DK) | 1987-09-16 | — | — | EP | disclosed |
| WO-1987000171-A1 | AMINO ACID DERIVATIVES | NOVO INDUSTRI A/S (DK) | 1987-01-15 | — | — | WO | disclosed |