Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 6/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.33 |
| ▸ | LIPE | Q05469 | 1/20 | 0.33 |
| ▸ | ARG2 | P78540 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.31 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | FAAH | O00519 | 3/20 | 0.31 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL23535576 | 0.75 | LIPE (0.39) | CA1CA2LIPEARG2TSHR | |
| SCHEMBL874879 | 0.71 | TRPV6 (0.42) | CES1CA1CA2TSHRTRPV6 | |
| SCHEMBL3900187 | 0.70 | CA1 (0.41) | CA1CA2LIPEARG2TSHR | |
| SCHEMBL1356582 | 0.70 | CA1 (0.41) | CES1CA1CA2LIPEARG2 | |
| SCHEMBL670441 | 0.69 | LIPE (0.35) | CA1CA2LIPEARG2TSHR | |
| SCHEMBL17508991 | 0.68 | EPHX2 (0.38) | CES1GRIN2BTSHR | |
| SCHEMBL3887273 | 0.68 | TSHR (0.46) | CA1CA2LIPEARG2TSHR | |
| SCHEMBL28070120 | 0.68 | CA1 (0.34) | CA1CA2TSHRTRPV6PDK2 | |
| SCHEMBL5952624 | 0.68 | TRPA1 (0.39) | CA1CA2LIPETSHRSLC6A2 | |
| SCHEMBL25377641 | 0.66 | CA1 (0.46) | CA1CA2LIPEARG2TSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-3180340-A1 | PYRIDO[2,3-D]PYRIMIDINE-2,4(1H,3H)-DIONE DERIVATIVES | Hydra Biosciences, Inc. (US) | 2017-06-21 | — | — | EP | disclosed |
| WO-2016023830-A1 | PYRIDO[2,3-D]PYRIMIDINE-2,4(1H,3H)-DIONE DERIVATIVES | HYDRA BIOSCIENCES, INC. (US) | 2016-02-18 | — | — | WO | disclosed |