Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TPMT | P51580 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | ITGA1 | P56199 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 3/20 | 0.37 |
| ▸ | CES1 | P23141 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.36 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.36 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.36 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL496557 | 0.85 | ALDH1A1 (0.44) | ESR1CES2CES1ALDH1A1CYP1A2 | |
| Water SCHEMBL19100116 | 0.83 | ALDH1A1 (0.43) | ESR1CES2CES1ALDH1A1CYP1A2 | |
| Phosphine SCHEMBL28070707 | 0.83 | ALDH1A1 (0.43) | ESR1CES2CES1ALDH1A1CYP1A2 | |
| SCHEMBL10994777 | 0.77 | CYP1B1 (0.44) | CES2CES1ALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL27744506 | 0.77 | CYP1B1 (0.44) | ESR1ALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL14200441 | 0.77 | CYP1B1 (0.44) | CES2CES1ALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL14199949 | 0.77 | CES2 (0.56) | CES2CES1ALDH1A1CYP1A2NPSR1 | |
| SCHEMBL1746700 | 0.77 | MTNR1A (0.41) | TPMTCA1CA2ITGA1MTNR1A | |
| SCHEMBL1746702 | 0.77 | MTNR1A (0.41) | TPMTCA1CA2ITGA1MTNR1A | |
| SCHEMBL1746705 | 0.77 | MTNR1A (0.41) | TPMTCA1CA2ITGA1MTNR1A |
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 |
|---|---|---|---|---|---|---|---|
| EP-1284734-B1 | ISOQUINOLINE DERIVATIVES AS PROTEIN KINASE INHIBITORS | CUREGENICS LTD (IL) | 2008-05-21 | — | — | EP | disclosed |