Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.45 |
| ▸ | PGD | P52209 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | PDE4A | P27815 | 1/20 | 0.31 |
| ▸ | HMGCR | P04035 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL25004681 | 0.81 | TSHR (0.47) | TSHRPGDALDH1A1TP53MAPT | |
| SCHEMBL10486549 | 0.79 | TP53 (0.43) | TSHRPGDALDH1A1TP53MAPT | |
| Cadaverine Tartrate SCHEMBL30041704 | 0.76 | TSHR (0.56) | TSHRPGDALDH1A1TP53MAPT | |
| SCHEMBL14261024 | 0.76 | ALDH1A1 (0.38) | TSHRALDH1A1TP53MAPTPTGS1 | |
| SCHEMBL106774 | 0.69 | — | — | |
| SCHEMBL31072282 | 0.69 | CPT2 (0.42) | TSHRPGDALDH1A1TP53MAPT | |
| SCHEMBL2900538 | 0.69 | — | — | |
| Tartaric Acid SCHEMBL31228716 | 0.69 | TSHR (0.62) | TSHRPGDALDH1A1TP53MAPT | |
| SCHEMBL42068 | 0.69 | — | — | |
| Cadaverine Tartrate SCHEMBL11800555 | 0.69 | TSHR (0.62) | TSHRPGDALDH1A1TP53MAPT |
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-20210371988-A1 | CLOSED LOOP COOLING WATER CORROSION INHIBITION EMPLOYING POLYMALEATES AND NON-BORATE BUFFERS | ECOLAB USA INC. (US) | 2021-12-02 | — | — | US | disclosed |