Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 4/20 | 0.43 |
| ▸ | RAB9A | P51151 | 4/20 | 0.43 |
| ▸ | CA12 | O43570 | 3/20 | 0.43 |
| ▸ | CA1 | P00915 | 3/20 | 0.43 |
| ▸ | CA2 | P00918 | 3/20 | 0.43 |
| ▸ | CA7 | P43166 | 3/20 | 0.43 |
| ▸ | CA9 | Q16790 | 3/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | AHR | P35869 | 1/20 | 0.43 |
| ▸ | ESR1 | P03372 | 1/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL1257007 | 0.83 | MAPT (0.50) | TSHRALDH1A1MAPTMEN1TP53 | |
| SCHEMBL17223287 | 0.81 | TSHR (0.55) | TSHRALDH1A1MAPTMEN1TP53 | |
| SCHEMBL28479419 | 0.81 | TSHR (0.46) | TSHRALDH1A1MAPTMEN1TP53 | |
| SCHEMBL106736 | 0.80 | TSHR (0.44) | TSHRALDH1A1MAPTMEN1TP53 | |
| SCHEMBL6336946 | 0.80 | TSHR (0.44) | TSHRALDH1A1MAPTMEN1TP53 | |
| SCHEMBL12559200 | 0.80 | ALDH1A1 (0.50) | TSHRALDH1A1MAPTMEN1TP53 | |
| SCHEMBL19066808 | 0.79 | TSHR (0.43) | TSHRALDH1A1MAPTMEN1TP53 | |
| SCHEMBL15819569 | 0.79 | TSHR (0.47) | TSHRALDH1A1MAPTMEN1TP53 | |
| SCHEMBL25024624 | 0.78 | SMN1; SMN2 (0.43) | TSHRALDH1A1MAPTMEN1TP53 | |
| SCHEMBL11666132 | 0.77 | PLK1 (0.48) | TSHRALDH1A1MAPTMEN1TP53 |
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-2017117189-A1 | PREPARATION OF MIXED AMIDOMAGNESIUM HALIDES | TETRAPHASE PHARMACEUTICALS, INC. (US) | 2017-07-06 | — | — | WO | disclosed |