Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.54 |
| ▸ | CCKBR | P32239 | 2/20 | 0.38 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.38 |
| ▸ | THRA | P10827 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | SLCO1B3 | Q9NPD5 | 1/20 | 0.37 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.36 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.36 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.35 |
| ▸ | EGFR | P00533 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL22739234 | 0.70 | TSHR (0.40) | TSHRLMNAHPGDHSP90AA1HSP90AB1 | |
| SCHEMBL11779300 | 0.69 | TSHR (0.63) | TSHRCCKBRALDH1A1LMNAHPGD | |
| SCHEMBL22727335 | 0.67 | TSHR (0.44) | TSHRCCKBRALDH1A1LMNAHPGD | |
| SCHEMBL9356480 | 0.67 | EGFR (0.51) | TSHRPDK2ALDH1A1HPGDCYP2C9 | |
| SCHEMBL19881336 | 0.67 | HSD17B1 (0.47) | TSHRPDK2ALDH1A1LMNAHPGD | |
| SCHEMBL22727569 | 0.66 | TSHR (0.43) | TSHRCCKBRALDH1A1LMNAHPGD | |
| SCHEMBL634330 | 0.66 | HSD17B3 (0.58) | TSHRTHRATHRB | |
| SCHEMBL1448283 | 0.64 | HSD17B3 (0.59) | TSHRTHRATHRB | |
| SCHEMBL11454034 | 0.64 | SIGMAR1 (0.60) | TSHRALDH1A1CYP3A4TP53 | |
| SCHEMBL11819690 | 0.64 | TSHR (0.77) | TSHRALDH1A1LMNAHPGDHSP90AA1 |
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-2020243153-A1 | FUSED HETEROCYCLIC DERIVATIVES | Janssen Sciences Ireland Unlimited Company (IE) | 2020-12-03 | — | — | WO | disclosed |