Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | CES2 | O00748 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.42 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.42 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | MMP1 | P03956 | 1/20 | 0.41 |
| ▸ | MMP2 | P08253 | 1/20 | 0.41 |
| ▸ | MMP9 | P14780 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7997205 | 0.84 | TSHR (0.50) | TSHRLMNAALDH1A1ALOX15GAA | |
| SCHEMBL6500392 | 0.80 | TSHR (0.52) | TSHRLMNAALDH1A1ALOX15GAA | |
| SCHEMBL28022638 | 0.80 | TSHR (0.52) | TSHRLMNAALDH1A1ALOX15GAA | |
| SCHEMBL27995557 | 0.80 | TSHR (0.52) | TSHRLMNAALDH1A1ALOX15GAA | |
| SCHEMBL13857813 | 0.77 | TP53 (0.50) | TSHRLMNAALDH1A1ALOX15GAA | |
| SCHEMBL29758194 | 0.77 | TSHR (0.61) | TSHRLMNAALDH1A1ALOX15GAA | |
| SCHEMBL127723 | 0.77 | TSHR (0.61) | TSHRLMNAALDH1A1ALOX15GAA | |
| Hydrochloric Acid SCHEMBL28382242 | 0.75 | TSHR (0.59) | TSHRLMNAALDH1A1ALOX15GAA | |
| SCHEMBL16812678 | 0.74 | TSHR (0.57) | TSHRLMNAALDH1A1ALOX15GAA | |
| SCHEMBL28355307 | 0.74 | TSHR (0.44) | TSHRLMNAALDH1A1ALOX15GAA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2000010007-A9 | DEVICES AND METHODS FOR ANALYSIS OF NON-IONIC SOLUTES | CALIFORNIA INST OF TECHN (US) | 2000-07-06 | — | — | WO | claimed |
| WO-2000010007-A9 | DEVICES AND METHODS FOR ANALYSIS OF NON-IONIC SOLUTES | CALIFORNIA INST OF TECHN (US) | 2000-07-06 | — | — | WO | disclosed |
| WO-2000010007-A2 | DEVICES AND METHODS FOR ANALYSIS OF NON-IONIC SOLUTES | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2000-02-24 | — | — | WO | disclosed |