Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | SLC25A1 | P53007 | 1/20 | 0.39 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | VCAM1 | P19320 | 6/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | CDK2 | P24941 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9500842 | 0.84 | ALDH1A1 (0.40) | ALDH1A1CYP1A2CYP2D6CYP2C19TP53 | |
| SCHEMBL11855233 | 0.82 | ALDH1A1 (0.55) | ALDH1A1CYP1A2CYP2D6CYP2C19LMNA | |
| SCHEMBL29286651 | 0.78 | POLB (0.42) | ALDH1A1CYP1A2CYP2D6CYP2C19SLC25A1 | |
| SCHEMBL8977186 | 0.76 | GRIN2D (0.40) | ALDH1A1CYP1A2CYP2D6CYP2C19LMNA | |
| SCHEMBL8063524 | 0.76 | VCAM1 (0.46) | ALDH1A1CYP1A2CYP2D6CYP2C19LMNA | |
| SCHEMBL6534956 | 0.76 | VCAM1 (0.46) | ALDH1A1CYP1A2CYP2D6CYP2C19LMNA | |
| SCHEMBL27703675 | 0.74 | TSHR (0.49) | ALDH1A1CYP1A2CYP2D6CYP2C19LMNA | |
| SCHEMBL3639673 | 0.74 | TSHR (0.50) | ALDH1A1CYP1A2CYP2D6CYP2C19LMNA | |
| SCHEMBL10487782 | 0.73 | LMNA (0.43) | ALDH1A1CYP1A2CYP2D6CYP2C19LMNA | |
| SCHEMBL306135 | 0.73 | TSHR (0.51) | ALDH1A1CYP1A2CYP2D6CYP2C19LMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-5101069-A | PROCESS FOR THE PREPARATION OF HYDROXYETHYLSULFONYLNITRO- AND HYDROXYETHYLSULFONYLAMINO-BENZOIC ACIDS | HOECHST AKTIENGESELLSCHAFT (DE) | 1992-03-31 | — | — | US | disclosed |
| US-4960929-A | Chemical intermediate for making fiber reactive azo dyes | HOECHST AKTIENGESELLSCHAFT (DE) | 1990-10-02 | — | — | US | disclosed |