Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | USP2 | O75604 | 2/20 | 0.39 |
| ▸ | FPR1 | P21462 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.35 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.35 |
| ▸ | CACNA1I | Q9P0X4 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | TLR2 | O60603 | 1/20 | 0.34 |
| ▸ | IDH1 | O75874 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL10183301 | 0.93 | FPR1 (0.43) | TSHRUSP2FPR1CYP1A2CYP3A4 | |
| SCHEMBL10185957 | 0.89 | TSHR (0.43) | TSHRUSP2FPR1CYP1A2CYP3A4 | |
| SCHEMBL10185549 | 0.87 | ACKR3 (0.36) | TSHRCYP1A2CYP3A4CYP2C9SMN1; SMN2 | |
| SCHEMBL10183616 | 0.85 | OPRM1 (0.36) | SMN1; SMN2OPRM1IDH1TP53MAPT | |
| SCHEMBL10184071 | 0.82 | OPRM1 (0.37) | OPRM1IDH1TP53MAPT | |
| SCHEMBL10184008 | 0.82 | PTGIR (0.38) | TSHRUSP2FPR1CYP1A2CYP3A4 | |
| SCHEMBL10183782 | 0.82 | OPRM1 (0.40) | OPRM1IDH1TP53MAPT | |
| SCHEMBL10183654 | 0.81 | IDH1 (0.38) | CYP1A2CYP3A4CYP2C9CYP2C19OPRM1 | |
| SCHEMBL10183764 | 0.81 | TP53 (0.34) | USP2CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL10183319 | 0.81 | MEN1 (0.43) | SMN1; SMN2OPRM1ALDH1A1KDM4EIDH1 |
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-2012009678-A1 | THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHOD OF USE | AGIOS PHARMACEUTICALS, INC. (US) | 2012-01-19 | — | — | WO | disclosed |