Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 15/20 | 0.50 |
| ▸ | CA1 | P00915 | 13/20 | 0.50 |
| ▸ | CA6 | P23280 | 4/20 | 0.50 |
| ▸ | CA4 | P22748 | 3/20 | 0.50 |
| ▸ | CA9 | Q16790 | 9/20 | 0.45 |
| ▸ | CA5A | P35218 | 6/20 | 0.45 |
| ▸ | CA12 | O43570 | 4/20 | 0.45 |
| ▸ | CA7 | P43166 | 3/20 | 0.45 |
| ▸ | CA5B | Q9Y2D0 | 3/20 | 0.45 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | LDHA | P00338 | 1/20 | 0.36 |
| ▸ | CDK2 | P24941 | 1/20 | 0.36 |
| ▸ | CA3 | P07451 | 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 | |
|---|---|---|---|---|
| SCHEMBL30232744 | 1.00 | CA2 (0.50) | CA2CA1CA6CA4CA9 | |
| SCHEMBL32669479 | 0.81 | CA2 (0.45) | CA2CA1CA6CA4CA9 | |
| SCHEMBL10718630 | 0.81 | ALDH1A1 (0.36) | CA2CA1CA6CA4CA9 | |
| SCHEMBL9269411 | 0.77 | CA2 (0.54) | CA2CA1CA6CA4CA9 | |
| SCHEMBL14322682 | 0.77 | CA2 (0.42) | CA2CA1CA6CA4CA9 | |
| SCHEMBL2226182 | 0.74 | CA2 (0.56) | CA2CA1CA6CA4CA9 | |
| SCHEMBL11172963 | 0.73 | CA2 (0.45) | CA2CA1CA6CA4CA9 | |
| SCHEMBL9492408 | 0.72 | CA2 (0.55) | CA2CA1CA6CA4CA9 | |
| SCHEMBL202947 | 0.71 | CA2 (0.70) | CA2CA1CA6CA4CA9 | |
| SCHEMBL5013613 | 0.71 | CA2 (0.51) | CA2CA1CA6CA4CA9 |
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-4322954-A1 | SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT | Merck Sharp & Dohme LLC (US) | 2024-02-21 | — | — | EP | disclosed |
| WO-2022221739-A1 | SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT | MERCK SHARP & DOHME CORP. (US) | 2022-10-20 | — | — | WO | disclosed |
| EP-3116857-A1 | CONSTRAINED TRICYCLIC SULFONAMIDES | Icahn School of Medicine at Mount Sinai (US) | 2017-01-18 | — | — | EP | disclosed |
| WO-2015138496-A1 | CONSTRAINED TRICYCLIC SULFONAMIDES | ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) | 2015-09-17 | — | — | WO | disclosed |