Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.57 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | HPGD | P15428 | 3/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | F2 | P00734 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL17078095 | 0.84 | TSHR (0.48) | TSHRALDH1A1TP53GLAMAPT | |
| SCHEMBL11670709 | 0.81 | TSHR (0.71) | TSHRNPSR1ALDH1A1HPGDHTT | |
| SCHEMBL6692681 | 0.81 | TSHR (0.44) | TSHRNPSR1ALDH1A1TP53GLA | |
| SCHEMBL1803233 | 0.80 | TSHR (0.54) | TSHRNPSR1ALDH1A1HPGDHTT | |
| SCHEMBL4294748 | 0.79 | TSHR (0.43) | TSHRALDH1A1TP53GLAPOLB | |
| SCHEMBL1006444 | 0.77 | HTT (0.71) | TSHRALDH1A1HPGDHTTTP53 | |
| SCHEMBL2754177 | 0.77 | TP53 (0.41) | TSHRALDH1A1TP53GLAMAPT | |
| SCHEMBL11381 | 0.77 | MLYCD (0.46) | TSHRALDH1A1TP53GLAMAPT | |
| SCHEMBL1803821 | 0.76 | TSHR (0.50) | TSHRNPSR1ALDH1A1HPGDHTT | |
| SCHEMBL29173201 | 0.75 | CYP3A4 (0.48) | TSHRALDH1A1TP53GLAMAPT |
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 |
|---|---|---|---|---|---|---|---|
| CN-1054850-C | Piperazine compounds used in therapy | WELLCOME FOUND (GB) | 2000-07-26 | — | — | CN | disclosed |
| CN-1133593-A | Piperazine compounds for use in therapy | WELLCOME FOUND (GB) | 1996-10-16 | — | — | CN | disclosed |