Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 4/20 | 0.41 |
| ▸ | GSTO1 | P78417 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | KCNJ6 | P48051 | 1/20 | 0.38 |
| ▸ | KCNJ5 | P48544 | 1/20 | 0.38 |
| ▸ | KCNJ3 | P48549 | 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 | |
|---|---|---|---|---|
| SCHEMBL8577577 | 0.84 | ALDH1A1 (0.53) | ALDH1A1MEN1KMT2ATSHRGSTO1 | |
| SCHEMBL8571651 | 0.83 | KCNH2 (0.38) | ALDH1A1KMT2ATSHRCYP2C19KCNJ6 | |
| SCHEMBL8576489 | 0.83 | CA1 (0.51) | — | |
| SCHEMBL10136528 | 0.80 | HTT (0.48) | ALDH1A1MEN1KMT2ASMN1; SMN2MAPT | |
| SCHEMBL8576788 | 0.78 | ALDH1A1 (0.43) | ALDH1A1MEN1KMT2ATSHRGSTO1 | |
| SCHEMBL8576405 | 0.78 | ALDH1A1 (0.43) | ALDH1A1MEN1KMT2ATSHRGSTO1 | |
| SCHEMBL8571655 | 0.74 | GSTO1 (0.38) | ALDH1A1KMT2ATSHRGSTO1SMN1; SMN2 | |
| SCHEMBL8574698 | 0.73 | HTT (0.40) | ALDH1A1MEN1KMT2ATSHRMAPT | |
| SCHEMBL9436744 | 0.72 | SMN1; SMN2 (0.72) | ALDH1A1KMT2ATSHRGSTO1SMN1; SMN2 | |
| SCHEMBL20488862 | 0.72 | TSHR (0.57) | ALDH1A1TSHRGSTO1SMN1; SMN2CYP1A2 |
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-5849796-A | Ortho-substituted benzoil acid derivatives | MERCK PATENT GELSELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1998-12-15 | — | — | US | disclosed |