Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL18329542 | 0.88 | CA12 (0.47) | CA12CA1CA2CA7CA9 | |
| SCHEMBL3518044 | 0.86 | CA12 (0.48) | CA12CA1CA2CA7CA9 | |
| SCHEMBL28282779 | 0.85 | CA12 (0.44) | CA12CA1CA2CA7CA9 | |
| SCHEMBL3205636 | 0.85 | CA12 (0.44) | CA12CA1CA2CA7CA9 | |
| SCHEMBL16690709 | 0.84 | TDP1 (0.50) | CA12CA1CA2CA7CA9 | |
| SCHEMBL23362891 | 0.83 | PTGS2 (0.43) | CA12CA1CA2CA7CA9 | |
| SCHEMBL1495309 | 0.83 | CA12 (0.52) | CA12CA1CA2CA7CA9 | |
| SCHEMBL19792296 | 0.81 | CA12 (0.41) | CA12CA1CA2CA7CA9 | |
| SCHEMBL15353466 | 0.81 | CA12 (0.41) | CA12CA1CA2CA7CA9 | |
| SCHEMBL1495316 | 0.81 | CA12 (0.41) | CA12CA1CA2CA7CA9 |
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-4713320-A2 | BCAT2 INHIBITORS | Agios Pharmaceuticals, Inc. (US) | 2026-03-25 | — | — | EP | disclosed |
| WO-2024238820-A2 | BCAT2 INHIBITORS | AGIOS PHARMACEUTICALS, INC. (US) | 2024-11-21 | — | — | WO | disclosed |