Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.54 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.48 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.47 |
| ▸ | SCN2A | Q99250 | 4/20 | 0.46 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.46 |
| ▸ | HIPK4 | Q8NE63 | 1/20 | 0.46 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL4580586 | 0.97 | ESR1 (0.51) | ESR1ESR2KMT2AMEN1ALDH1A1 | |
| SCHEMBL4578177 | 0.86 | ESR1 (0.48) | ESR1ESR2KMT2AMEN1ALDH1A1 | |
| SCHEMBL30390220 | 0.81 | KMT2A (0.64) | ESR1ESR2KMT2AMEN1ALDH1A1 | |
| SCHEMBL3619832 | 0.81 | KMT2A (0.64) | ESR1ESR2KMT2AMEN1ALDH1A1 | |
| SCHEMBL7547818 | 0.80 | MGLL (0.61) | ESR1ESR2KMT2AMEN1ALDH1A1 | |
| SCHEMBL29841157 | 0.80 | MGLL (0.61) | ESR1ESR2KMT2AMEN1ALDH1A1 | |
| SCHEMBL30368482 | 0.80 | MGLL (0.61) | ESR1ESR2KMT2AMEN1ALDH1A1 | |
| SCHEMBL4541543 | 0.79 | ESR1 (0.43) | ESR1ESR2KMT2AMEN1CYP1A2 | |
| SCHEMBL19317166 | 0.76 | MEN1 (0.52) | ESR1ESR2KMT2AMEN1SCN2A | |
| SCHEMBL17954857 | 0.76 | KMT2A (0.49) | KMT2AMEN1ALDH1A1LMNACYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1998043953-A1 | NAPHTHALENESULPHONIC OR CARBOXYLIC ACIDS AND THEIR USE AS ATYPICAL BETA-ADRENOCEPTOR AGONISTS | GLAXO GROUP LIMITED (GB) | 1998-10-08 | — | — | WO | disclosed |