Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESRRA | P11474 | 3/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 3/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.31 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.31 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL13044881 | 1.00 | ESRRA (0.33) | ESRRACYP3A4HPGDALDH1A1TSHR | |
| SCHEMBL13044886 | 0.92 | ESRRA (0.33) | ESRRACYP3A4HPGDALDH1A1TSHR | |
| SCHEMBL13044887 | 0.92 | ESRRA (0.32) | ESRRACYP3A4HPGDALDH1A1TSHR | |
| SCHEMBL13946759 | 0.92 | ESRRA (0.32) | ESRRACYP3A4HPGDALDH1A1TSHR | |
| SCHEMBL11991627 | 0.91 | CYP3A4 (0.32) | ESRRACYP3A4HPGDALDH1A1CYP1A2 | |
| SCHEMBL13946760 | 0.89 | CYP3A4 (0.31) | ESRRACYP3A4HPGDALDH1A1TSHR | |
| SCHEMBL13044701 | 0.89 | ALDH1A1 (0.33) | HPGDALDH1A1TSHRHSD17B10TAS1R3 | |
| SCHEMBL13107307 | 0.88 | ESRRA (0.38) | ESRRACYP3A4HPGDALDH1A1CYP1A2 | |
| SCHEMBL13044739 | 0.88 | SCN9A (0.34) | — | |
| SCHEMBL13044880 | 0.87 | MRGPRX4 (0.32) | ESRRACYP3A4HPGDALDH1A1TSHR |
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-2009018656-A1 | VIRAL POLYMERASE INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-02-12 | — | — | WO | disclosed |