Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.61 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.48 |
| ▸ | FEN1 | P39748 | 1/20 | 0.48 |
| ▸ | P2RX7 | Q99572 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | JAK2 | O60674 | 1/20 | 0.41 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.41 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.41 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | PNMT | P11086 | 1/20 | 0.38 |
| ▸ | MGAM | O43451 | 1/20 | 0.37 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | SI | P14410 | 1/20 | 0.37 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2103300 | 0.79 | TSHR (0.54) | TSHRERCC5FEN1P2RX7ALDH1A1 | |
| SCHEMBL9824909 | 0.79 | TSHR (0.54) | TSHRERCC5FEN1P2RX7ALDH1A1 | |
| SCHEMBL16956641 | 0.78 | TSHR (0.64) | TSHRERCC5FEN1P2RX7ALDH1A1 | |
| SCHEMBL29904615 | 0.76 | TSHR (1.00) | TSHRERCC5FEN1P2RX7ALDH1A1 | |
| SCHEMBL97298 | 0.76 | TSHR (1.00) | TSHRERCC5FEN1P2RX7ALDH1A1 | |
| SCHEMBL9586622 | 0.76 | TSHR (0.61) | TSHRERCC5FEN1P2RX7ALDH1A1 | |
| SCHEMBL2130360 | 0.75 | TSHR (0.60) | TSHRERCC5FEN1P2RX7ALDH1A1 | |
| SCHEMBL2092881 | 0.74 | TSHR (0.65) | TSHRERCC5FEN1P2RX7ALDH1A1 | |
| Fluoride SCHEMBL6446007 | 0.74 | TSHR (0.95) | TSHRERCC5FEN1P2RX7ALDH1A1 | |
| SCHEMBL2048711 | 0.74 | TSHR (0.95) | TSHRERCC5FEN1P2RX7ALDH1A1 |
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-3287454-A1 | HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2018-02-28 | — | — | EP | disclosed |