Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.54 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.48 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL10650965 | 0.83 | PTPN1 (0.63) | TSHRLMNACYP19A1PTPN1CYP1A2 | |
| SCHEMBL5552350 | 0.82 | POLB (0.50) | TSHRLMNAPTPN1CYP1A2CYP2C19 | |
| SCHEMBL11801017 | 0.81 | TSHR (0.54) | TSHRLMNACYP19A1PTPN1CYP1A2 | |
| SCHEMBL10918542 | 0.81 | TSHR (0.71) | TSHRLMNACYP19A1CYP1A2CYP2D6 | |
| SCHEMBL29864638 | 0.80 | TSHR (0.65) | TSHRLMNACYP19A1CYP1A2CYP2D6 | |
| SCHEMBL5250015 | 0.80 | TSHR (0.65) | TSHRLMNACYP19A1CYP1A2CYP2D6 | |
| SCHEMBL5274227 | 0.78 | TSHR (0.50) | TSHRLMNACYP19A1PTPN1CYP1A2 | |
| SCHEMBL4661598 | 0.77 | CA2 (0.51) | TSHRLMNACYP19A1PTPN1CYP1A2 | |
| SCHEMBL8786280 | 0.77 | ALDH1A1 (0.54) | TSHRLMNACYP19A1PTPN1CYP1A2 | |
| Dinitrophenylene SCHEMBL27738927 | 0.75 | TSHR (0.53) | TSHRLMNAPTPN1CYP1A2CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101115722-A | Compounds and compositions as modulators of steroidal receptors and calcium channel activities | IRM LLC (BM) | 2008-01-30 | — | — | CN | claimed |
| CN-101115722-A | Compounds and compositions as modulators of steroidal receptors and calcium channel activities | IRM LLC (BM) | 2008-01-30 | — | — | CN | disclosed |