Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.46 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.42 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.42 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.42 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.42 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.42 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.42 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.42 |
| ▸ | TACR1 | P25103 | 1/20 | 0.42 |
| ▸ | DHFR | P00374 | 2/20 | 0.41 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.41 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL23507393 | 0.84 | GRIN2D (0.51) | TSHRMAPK1ALDH1A1CALM1GRIN2D | |
| SCHEMBL4526554 | 0.81 | CALM1 (0.55) | TSHRMAPK1ALDH1A1CALM1 | |
| SCHEMBL3100529 | 0.80 | ALDH1A1 (0.52) | TSHRMAPK1ALDH1A1CALM1GRIN2D | |
| SCHEMBL4513604 | 0.79 | PYCR1 (0.62) | TSHRALDH1A1PYCR1MAPT | |
| SCHEMBL12933661 | 0.76 | PTGS2 (0.59) | ALDH1A1CYP19A1KDM4EGAAMAPT | |
| SCHEMBL21554572 | 0.76 | TSHR (0.42) | TSHRMAPK1ALDH1A1CALM1GRIN2D | |
| SCHEMBL15746871 | 0.76 | TSHR (0.47) | TSHRMAPK1ALDH1A1CALM1GRIN2D | |
| SCHEMBL15790970 | 0.73 | BCHE (0.56) | TSHRALDH1A1CALM1 | |
| SCHEMBL88823 | 0.72 | ALDH1A1 (0.61) | TSHRMAPK1ALDH1A1CALM1GRIN2D | |
| SCHEMBL20804510 | 0.71 | PYCR1 (0.62) | TSHRALDH1A1PYCR1KDM4EGAA |
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 |
|---|---|---|---|---|---|---|---|
| EP-3193604-B1 | SUBSTITUTED N-(PYRROLIDIN-3-YL)ISOXAZOLE-3-CARBOXAMIDE COMPOUNDS | EPIZYME INC (US) | 2021-06-16 | — | — | EP | disclosed |