Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | FDPS | P14324 | 1/20 | 0.32 |
| ▸ | TXN | P10599 | 1/20 | 0.32 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.31 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | F2RL1 | P55085 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL23555331 | 0.81 | ALDH1A1 (0.35) | CYP19A1ALDH1A1SMN1; SMN2TXNTXNRD1 | |
| SCHEMBL9459967 | 0.76 | CYP19A1 (0.41) | CYP19A1ALDH1A1SMN1; SMN2FDPSTXN | |
| SCHEMBL29749649 | 0.75 | ALDH1A1 (0.41) | CYP19A1ALDH1A1SMN1; SMN2FDPSTXN | |
| SCHEMBL13493243 | 0.74 | ALDH1A1 (0.39) | CYP19A1ALDH1A1SMN1; SMN2FDPSTXN | |
| SCHEMBL3707615 | 0.74 | ALDH1A1 (0.39) | CYP19A1ALDH1A1SMN1; SMN2FDPSTXN | |
| SCHEMBL5057625 | 0.73 | CYP19A1 (0.46) | CYP19A1ALDH1A1SMN1; SMN2FDPSTXN | |
| SCHEMBL27951250 | 0.72 | ALDH1A1 (0.38) | CYP19A1ALDH1A1SMN1; SMN2FDPSTXN | |
| SCHEMBL11306595 | 0.72 | CYP19A1 (0.39) | CYP19A1ALDH1A1SMN1; SMN2TXNTXNRD1 | |
| SCHEMBL17104430 | 0.69 | CYP19A1 (0.39) | CYP19A1ALDH1A1SMN1; SMN2TXNTXNRD1 | |
| SCHEMBL5500827 | 0.69 | CYP19A1 (0.39) | CYP19A1ALDH1A1SMN1; SMN2FDPS |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012007008-A1 | INHIBITORS OF HDME | EPITHERAPEUTICS APS (DK) | 2012-01-19 | — | — | WO | claimed |
| WO-2012007008-A1 | INHIBITORS OF HDME | EPITHERAPEUTICS APS (DK) | 2012-01-19 | — | — | WO | disclosed |