Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.36 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.36 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 4/20 | 0.35 |
| ▸ | USP2 | O75604 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.33 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL23225639 | 0.89 | CA12 (0.35) | ALDH1A1LMNACHRNB2CHRNB4CHRNA3 | |
| SCHEMBL24131324 | 0.83 | TSHR (0.46) | ALDH1A1LMNACHRNB2CHRNB4CHRNA3 | |
| SCHEMBL995722 | 0.81 | LMNA (0.40) | ALDH1A1LMNACHRNB2CHRNB4CHRNA3 | |
| SCHEMBL5535643 | 0.79 | CA12 (0.36) | ALDH1A1LMNACHRNB2CHRNB4CHRNA3 | |
| SCHEMBL9357923 | 0.79 | ALDH1A1 (0.41) | ALDH1A1LMNACHRNB2CHRNB4CHRNA3 | |
| SCHEMBL17493274 | 0.78 | CHRNB2 (0.46) | ALDH1A1LMNACHRNB2CHRNB4CHRNA3 | |
| SCHEMBL10292049 | 0.78 | ALDH1A1 (0.46) | ALDH1A1LMNACHRNB2CHRNB4CHRNA3 | |
| SCHEMBL5546237 | 0.78 | CA12 (0.35) | ALDH1A1LMNACHRNB2CHRNB4CHRNA3 | |
| SCHEMBL20777122 | 0.77 | HDAC6 (0.36) | ALDH1A1LMNATSHRMAPTABCC4 | |
| SCHEMBL4006880 | 0.77 | EPHX2 (0.42) | ALDH1A1EPHX2 |
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-2021072140-A1 | PRODRUGS OF MYELOPEROXIDASE INHIBITORS | BIOHAVEN THERAPEUTICS LTD. (US) | 2021-04-15 | — | — | WO | disclosed |