Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | CES2 | O00748 | 2/20 | 0.41 |
| ▸ | CES1 | P23141 | 2/20 | 0.41 |
| ▸ | RORC | P51449 | 1/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.33 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.33 |
| ▸ | BCHE | P06276 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | ANPEP | P15144 | 1/20 | 0.33 |
| ▸ | DPP4 | P27487 | 1/20 | 0.33 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.33 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL18533077 | 1.00 | TSHR (0.50) | TSHRCES2CES1RORCHDAC4 | |
| SCHEMBL18891691 | 0.84 | CES2 (0.39) | TSHRCES2CES1GABRA1GABRG2 | |
| SCHEMBL22306685 | 0.83 | TSHR (0.50) | TSHRRORCHDAC4HDAC2HDAC8 | |
| SCHEMBL21138699 | 0.83 | TSHR (0.59) | TSHRCES2CES1GABRA1KDM4E | |
| SCHEMBL778759 | 0.83 | TSHR (0.59) | TSHRCES2CES1GABRA1KDM4E | |
| SCHEMBL20807370 | 0.83 | TSHR (0.59) | TSHRCES2CES1GABRA1KDM4E | |
| SCHEMBL19388419 | 0.82 | TSHR (0.48) | TSHRRORCHDAC4HDAC2HDAC8 | |
| SCHEMBL21259868 | 0.82 | TSHR (0.48) | TSHRRORCHDAC4HDAC2HDAC8 | |
| SCHEMBL21776121 | 0.82 | TSHR (0.48) | TSHRRORCHDAC4HDAC2HDAC8 | |
| SCHEMBL11030276 | 0.82 | CES2 (0.43) | TSHRCES2CES1GABRA1GABRG2 |
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-2019156929-A1 | THERAPEUTIC COMPOUNDS AND COMPOSITIONS | eXIthera Pharmaceuticals Inc. (US) | 2019-08-15 | — | — | WO | disclosed |