Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | PDE2A | O00408 | 3/20 | 0.38 |
| ▸ | GAA | P10253 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | RORC | P51449 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | AR | P10275 | 1/20 | 0.33 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | DPP4 | P27487 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1772000 | 0.80 | GAA (0.43) | TSHRGAAALDH1A1USP2PKM | |
| SCHEMBL25974967 | 0.80 | MC4R (0.41) | TSHRPDE2AALDH1A1PKMRORC | |
| SCHEMBL12686652 | 0.80 | MC4R (0.41) | TSHRPDE2AALDH1A1PKMRORC | |
| SCHEMBL12686634 | 0.80 | MC4R (0.41) | TSHRPDE2AALDH1A1PKMRORC | |
| SCHEMBL12303942 | 0.79 | PDE2A (0.41) | PDE2AGAAALDH1A1HSD17B10KDM4E | |
| SCHEMBL10882492 | 0.78 | ALDH1A1 (0.46) | TSHRGAAALDH1A1USP2PKM | |
| SCHEMBL13813774 | 0.78 | TSHR (0.39) | TSHRPDE2ARORC | |
| SCHEMBL18924732 | 0.78 | LOXL2 (0.38) | TSHRPDE2ARORC | |
| Hydrochloric Acid SCHEMBL31188322 | 0.78 | PDE2A (0.40) | PDE2AGAAALDH1A1HSD17B10KDM4E | |
| SCHEMBL24989713 | 0.77 | TSHR (0.47) | TSHRPDE2AGAAALDH1A1USP2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4059932-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | Vertex Pharmaceuticals Incorporated (US) | 2022-09-21 | — | — | EP | disclosed |
| EP-3354650-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | Vertex Pharmaceuticals Incorporated (US) | 2018-08-01 | — | — | EP | disclosed |
| WO-2018089373-A9 | STEROIDS AND PROTEIN-CONJUGATES THEREOF | REGENERON PHARMACEUTICALS, INC. (US) | 2018-07-12 | — | — | WO | disclosed |
| WO-2018089373-A2 | STEROIDS AND PROTEIN-CONJUGATES THEREOF | REGENERON PHARMACEUTICALS, INC. (US) | 2018-05-17 | — | — | WO | disclosed |