Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.53 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | CA12 | O43570 | 6/20 | 0.50 |
| ▸ | CA2 | P00918 | 6/20 | 0.50 |
| ▸ | CA9 | Q16790 | 5/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | MPO | P05164 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL10150926 | 0.85 | HTT (0.50) | HTT | |
| SCHEMBL27586477 | 0.82 | MTNR1A (0.52) | MPO | |
| SCHEMBL13170238 | 0.81 | ALDH1A1 (0.64) | HTTKDM4E | |
| SCHEMBL30259908 | 0.81 | ALDH1A1 (0.64) | HTTKDM4E | |
| SCHEMBL32665522 | 0.81 | TSHR (0.53) | TSHRHIF1ACYP2D6CA12CA2 | |
| SCHEMBL10041804 | 0.81 | CA12 (0.55) | TSHRHIF1ACYP2D6CA12CA2 | |
| SCHEMBL4362706 | 0.81 | TSHR (0.57) | TSHRHIF1ACYP2D6CA12CA2 | |
| SCHEMBL19117071 | 0.81 | HPGD (0.66) | TSHRHIF1ACYP2D6CA12CA2 | |
| SCHEMBL27609666 | 0.80 | EPHX2 (0.66) | TSHRCYP2D6HTT | |
| SCHEMBL2905338 | 0.80 | RIPK1 (0.62) | CA12CA2CA9HTTMAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-3402785-B1 | 3-(CARBOXYMETHYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES | GRUENENTHAL GMBH (DE) | 2020-02-26 | — | — | EP | disclosed |
| WO-2017121649-A1 | 3-(CARBOXYMETHYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES | Grünenthal GmbH (DE) | 2017-07-20 | — | — | WO | disclosed |
| EP-1465869-B1 | MODULATORS OF LXR | EXELIXIS PATENT CO LLC (US) | 2013-05-15 | — | — | EP | disclosed |