Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.36 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.36 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.36 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2388924 | 0.71 | PGR (0.41) | ALDH1A1HPGDMAPTCYP1A2CYP3A4 | |
| SCHEMBL9246952 | 0.70 | ALDH1A1 (0.68) | ALDH1A1HPGDMAPTTSHRLMNA | |
| SCHEMBL2494498 | 0.69 | CA9 (0.40) | ALDH1A1HPGDMAPTCA12CA1 | |
| SCHEMBL7833966 | 0.66 | ALDH1A1 (0.45) | ALDH1A1HPGDMAPTCA9PTGS2 | |
| SCHEMBL2368094 | 0.65 | CA9 (0.49) | ALDH1A1HPGDMAPTCA12CA1 | |
| SCHEMBL14120915 | 0.65 | PTGS2 (0.44) | ALDH1A1HPGDMAPTCA1CA2 | |
| SCHEMBL12258757 | 0.65 | ALDH1A1 (0.44) | ALDH1A1HPGDCYP1A2 | |
| SCHEMBL5095441 | 0.65 | POLB (0.59) | ALDH1A1HPGDMAPTCA12CA1 | |
| SCHEMBL11856695 | 0.64 | ALDH1A1 (0.46) | ALDH1A1HPGDPTGS2LMNAGAA | |
| SCHEMBL21003856 | 0.64 | ALDH1A1 (0.40) | ALDH1A1HPGDMAPTCA9CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102869355-A | Pde10 inhibitors and related compositions and methods | OMEROS CORP | 2013-01-09 | — | — | CN | disclosed |