Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | GAA | P10253 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.49 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | CA2 | P00918 | 4/20 | 0.47 |
| ▸ | CA1 | P00915 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | TYR | P14679 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | CACNA1A | O00555 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL30709713 | 1.00 | TSHR (0.50) | TSHRCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL30709668 | 0.84 | CA2 (0.53) | TSHRCYP1A2CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL28723066 | 0.83 | TSHR (0.51) | TSHRCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL6240665 | 0.83 | TSHR (0.51) | TSHRCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL27801431 | 0.82 | ALDH1A1 (0.48) | TSHRCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7515742 | 0.81 | CYP1A2 (0.50) | TSHRCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL30641457 | 0.81 | ALDH1A1 (0.51) | TSHRCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL29268879 | 0.81 | TSHR (0.46) | TSHRCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL9133639 | 0.80 | TSHR (0.49) | TSHRCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL9139535 | 0.80 | TSHR (0.53) | TSHRCYP1A2CYP3A4CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| CN-103221457-A | Modified sulfur polymer and concrete composition containing same | GS CALTEX CORP | 2013-07-24 | — | — | CN | disclosed |
| US-5393923-A | Enzyme inhibitor; treating arthritis and inflammation | WARNER-LAMBERT COMPANY (US) | 1995-02-28 | — | — | US | disclosed |
| US-5288896-A | 3,5-di-t-butyl-4-hydroxylphenylmethylhydroxylamines and their derivatives, pharmaceutical compositions, and methods of use therefor | WARNER-LAMBERT COMPANY (US) | 1994-02-22 | — | — | US | disclosed |