Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.42 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | TPMT | P51580 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | ALKBH5 | Q6P6C2 | 1/20 | 0.37 |
| ▸ | EIF4A3 | P38919 | 4/20 | 0.37 |
| ▸ | CA12 | O43570 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | CA7 | P43166 | 2/20 | 0.35 |
| ▸ | CA9 | Q16790 | 2/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.35 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.35 |
| ▸ | B3GNT2 | Q9NY97 | 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 | |
|---|---|---|---|---|
| SCHEMBL14967172 | 0.82 | HCAR3 (0.39) | ALDH1A1LMNAHCAR3CYP2C19TPMT | |
| SCHEMBL2586738 | 0.80 | CYP1A2 (0.46) | ALDH1A1LMNASMN1; SMN2NFKB1CA12 | |
| SCHEMBL4429426 | 0.75 | KMT2A (0.40) | ALDH1A1LMNACYP2C19KDM4ETP53 | |
| SCHEMBL13739553 | 0.74 | NOTUM (0.54) | ALDH1A1LMNACYP2C19TPMTSMN1; SMN2 | |
| SCHEMBL23684463 | 0.73 | GPR84 (0.43) | ALDH1A1LMNACYP2C19TPMTSMN1; SMN2 | |
| Citrazinic Acid SCHEMBL8957131 | 0.71 | ALDH1A1 (0.48) | ALDH1A1LMNACYP2C19TPMTSMN1; SMN2 | |
| SCHEMBL18412738 | 0.71 | DAO (0.39) | ALDH1A1LMNAHCAR3HCAR2SMN1; SMN2 | |
| SCHEMBL11471145 | 0.71 | DAO (0.39) | ALDH1A1LMNACYP2C19SMN1; SMN2CA12 | |
| SCHEMBL21282786 | 0.69 | GPR84 (0.41) | ALDH1A1BLMCA1KDM4EHPGD | |
| SCHEMBL3525676 | 0.69 | TPMT (0.48) | ALDH1A1LMNACYP2C19TPMTSMN1; SMN2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2780013-A1 | MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF | Constellation Pharmaceuticals, Inc. (US) | 2014-09-24 | — | — | EP | disclosed |
| WO-2013075084-A1 | MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF | CONSTELLATION PHARMACEUTICALS (US) | 2013-05-23 | — | — | WO | disclosed |
| WO-2013067248-A1 | BENZOXAZINES AS MODULATORS OF ION CHANNELS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-05-10 | — | — | WO | disclosed |