Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LDHA | P00338 | 1/20 | 0.53 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 2/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | CMA1 | P23946 | 1/20 | 0.42 |
| ▸ | PPARG | P37231 | 1/20 | 0.41 |
| ▸ | PPARA | Q07869 | 1/20 | 0.41 |
| ▸ | AGXT | P21549 | 1/20 | 0.41 |
| ▸ | LTA4H | P09960 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL13843637 | 0.81 | TAAR1 (0.47) | SLC6A4CYP1A2CYP2D6CYP2A6PPARG | |
| SCHEMBL8693997 | 0.81 | LDHA (0.56) | LDHASLC6A4CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL28570428 | 0.80 | LDHA (0.53) | LDHASLC6A4CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL30290019 | 0.79 | SLC6A4 (0.58) | LDHASLC6A4CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL9900714 | 0.79 | SLC6A4 (0.58) | LDHASLC6A4CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL8283115 | 0.79 | SLC6A4 (0.58) | LDHASLC6A4CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL113550 | 0.79 | SLC6A4 (0.58) | LDHASLC6A4CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL25381199 | 0.78 | SLC6A4 (0.61) | LDHASLC6A4CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL1951994 | 0.78 | LDHA (0.53) | LDHASLC6A4CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL11641396 | 0.78 | TP53 (0.33) | LDHATP53TSHRTAAR1 |
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-5126437-A | ALDOPHOSPHAMIDE GLYCOSIDES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICAL ACTIVE COMPOUNDS | BAYER AKTIENGESELLSCHAFT (DE) | 1992-06-30 | — | — | US | disclosed |