Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.40 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.40 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.40 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.40 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | CA12 | O43570 | 3/20 | 0.38 |
| ▸ | CA9 | Q16790 | 3/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.36 |
| ▸ | APEX1 | P27695 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.36 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.36 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL12067161 | 0.84 | CA12 (0.50) | ALDH1A1TDP1HTTCA12CA9 | |
| SCHEMBL12066716 | 0.80 | ALDH1A1 (0.42) | ALDH1A1TDP1HTTCYP2C9CYP2C19 | |
| SCHEMBL26144895 | 0.77 | TDP1 (0.45) | ALDH1A1TDP1HTTCYP2C9CYP2C19 | |
| SCHEMBL15625510 | 0.72 | TDP1 (0.46) | ALDH1A1TDP1HTTCYP2C9CYP2C19 | |
| SCHEMBL3410883 | 0.70 | HTT (0.54) | ALDH1A1TDP1HTTCYP2C9CYP2C19 | |
| SCHEMBL24462107 | 0.70 | TDP1 (0.50) | ALDH1A1TDP1HTTESR1POLB | |
| SCHEMBL8473107 | 0.70 | HTT (0.48) | ALDH1A1HTTCA12CA9CYP2C9 | |
| SCHEMBL568367 | 0.69 | TDP1 (0.53) | ALDH1A1TDP1HTTESR1POLB | |
| SCHEMBL17286586 | 0.69 | ALDH1A1 (0.46) | ALDH1A1TDP1HTTCYP2C9CYP2C19 | |
| SCHEMBL2007731 | 0.69 | HTT (0.63) | ALDH1A1TDP1HTTCA12CA9 |
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-2011149841-A1 | SUBSTITUTED THIAZOLIDINEDIONE INDAZOLES, INDOLES AND BENZOTRIAZOLES AS ESTROGEN-RELATED RECEPTOR-α MODULATORS | JANSSEN PHARMACEUTICA NV (BE) | 2011-12-01 | — | — | WO | disclosed |