Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESRRG | P62508 | 1/20 | 0.65 |
| ▸ | NSD2 | O96028 | 2/20 | 0.58 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.49 |
| ▸ | PDK1 | Q15118 | 2/20 | 0.48 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.48 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.48 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.48 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.48 |
| ▸ | MLYCD | O95822 | 2/20 | 0.48 |
| ▸ | ESR1 | P03372 | 1/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA3 | P07451 | 1/20 | 0.44 |
| ▸ | CA6 | P23280 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6796753 | 0.86 | NSD2 (0.77) | ESRRGNSD2PDK1PDK2PDK3 | |
| SCHEMBL5317404 | 0.79 | NSD2 (0.58) | NSD2PDK2MLYCDCA2MEN1 | |
| SCHEMBL6794239 | 0.75 | CA2 (0.52) | NSD2PDK1PDK2PDK3PDK4 | |
| SCHEMBL14357352 | 0.75 | LTB4R (0.52) | NSD2MLYCDTSHRRAB9ANPC1 | |
| SCHEMBL10355508 | 0.75 | CA2 (0.73) | CYP19A1ESR1ESR2CA12CA2 | |
| SCHEMBL5318145 | 0.74 | NSD2 (0.60) | NSD2PDK1PDK2PDK3PDK4 | |
| SCHEMBL23015300 | 0.73 | NSD2 (1.00) | NSD2MCHR1PDK1PDK2PDK3 | |
| SCHEMBL6799435 | 0.73 | MEN1 (0.72) | NSD2PDK1PDK2PDK3PDK4 | |
| SCHEMBL5414969 | 0.73 | NSD2 (0.52) | NSD2PDK2MLYCDCA2MEN1 | |
| SCHEMBL21996676 | 0.72 | PPARA (0.43) | ESRRGNSD2CYP19A1TSHRRAB9A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0381033-B1 | Carboxylic-acid and sulphonic-acid amides | HOFFMANN LA ROCHE (CH) | 1994-03-23 | — | — | EP | disclosed |
| EP-0381033-A1 | Carboxylic-acid and sulphonic-acid amides | F. HOFFMANN-LA ROCHE AG (CH) | 1990-08-08 | — | — | EP | disclosed |