Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.56 |
| ▸ | CA1 | P00915 | 3/20 | 0.56 |
| ▸ | CA2 | P00918 | 3/20 | 0.56 |
| ▸ | CA7 | P43166 | 3/20 | 0.56 |
| ▸ | CA9 | Q16790 | 3/20 | 0.56 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | CASP3 | P42574 | 1/20 | 0.47 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.47 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.47 |
| ▸ | ESR1 | P03372 | 1/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | MAOA | P21397 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL1202702 | 0.90 | CA12 (0.62) | CA12CA1CA2CA7CA9 | |
| SCHEMBL265366 | 0.86 | CA12 (0.67) | CA12CA1CA2CA7CA9 | |
| SCHEMBL4859473 | 0.86 | CA12 (0.67) | CA12CA1CA2CA7CA9 | |
| SCHEMBL19115362 | 0.84 | CA12 (0.51) | CA12CA1CA2CA7CA9 | |
| SCHEMBL26708988 | 0.84 | KDM4E (0.58) | CA12CA1CA2CA7CA9 | |
| SCHEMBL670880 | 0.84 | CA12 (0.55) | CA12CA1CA2CA7CA9 | |
| SCHEMBL1401503 | 0.84 | CYP2C19 (0.60) | CA12CA1CA2CA7CA9 | |
| SCHEMBL24526854 | 0.84 | CA12 (0.55) | CA12CA1CA2CA7CA9 | |
| SCHEMBL15276211 | 0.84 | CA12 (0.55) | CA12CA1CA2CA7CA9 | |
| SCHEMBL4162787 | 0.82 | CA1 (0.53) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022129047-A2 | NOVEL MODULATORS OF THE NMDA RECEPTOR | H. LUNDBECK A/S (DK) | 2022-06-23 | — | — | WO | disclosed |