Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.43 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.43 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.41 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.40 |
| ▸ | GAA | P10253 | 4/20 | 0.40 |
| ▸ | MGAM | O43451 | 1/20 | 0.40 |
| ▸ | SI | P14410 | 1/20 | 0.40 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.40 |
| ▸ | EGFR | P00533 | 3/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | GFER | P55789 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9883943 | 0.76 | EGFR (0.47) | TSHRHSP90AB1CYP4F2CYP4A11EGFR | |
| SCHEMBL12042064 | 0.75 | CYP4F2 (0.45) | TSHRHSP90AB1CYP4F2CYP4A11HSD17B10 | |
| SCHEMBL3081523 | 0.74 | KDM4E (0.46) | TSHRHSP90AB1CYP4F2CYP4A11HSD17B10 | |
| SCHEMBL5007047 | 0.73 | MEN1 (0.44) | TSHRHSP90AB1CYP4F2CYP4A11HSD17B10 | |
| SCHEMBL1475954 | 0.73 | HSP90AB1 (0.43) | TSHRHSP90AB1CYP4F2CYP4A11HSD17B10 | |
| SCHEMBL8787576 | 0.72 | HSP90AB1 (0.42) | HSP90AB1CYP4F2CYP4A11HSD17B10GAA | |
| SCHEMBL10174551 | 0.72 | KDM4E (0.40) | TSHRHSP90AB1CYP4F2CYP4A11HSD17B10 | |
| SCHEMBL10174520 | 0.72 | KDM4E (0.43) | TSHRHSP90AB1CYP4F2CYP4A11HSD17B10 | |
| SCHEMBL1224633 | 0.71 | KDM4E (0.43) | TSHRHSP90AB1CYP4F2CYP4A11HSD17B10 | |
| SCHEMBL10079108 | 0.70 | LMNA (0.43) | TSHRHSD17B10GAAALDH1A1CYP1A2 |
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-2010138720-A9 | COMPOUNDS AND METHODS FOR CHELATING METALS IN AQUEOUS SOLUTIONS | THE SCRIPPS RESEARCH INSTITUTE (US) | 2011-04-07 | — | — | WO | disclosed |
| WO-2010138720-A2 | COMPOUNDS AND METHODS FOR CHELATING METALS IN AQUEOUS SOLUTIONS | THE SCRIPPS RESEARCH INSTITUTE (US) | 2010-12-02 | — | — | WO | disclosed |