Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FKBP1A | P62942 | 1/20 | 0.41 |
| ▸ | SMYD3 | Q9H7B4 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 0.35 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.35 |
| ▸ | VNN1 | O95497 | 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 | |
|---|---|---|---|---|
| SCHEMBL4043418 | 0.87 | FKBP1A (0.38) | FKBP1ASMYD3ALDH1A1CYP2C9TSHR | |
| SCHEMBL6210568 | 0.86 | SMYD3 (0.38) | FKBP1ASMYD3ALDH1A1CYP2C9TSHR | |
| SCHEMBL6209144 | 0.86 | SMYD3 (0.38) | FKBP1ASMYD3ALDH1A1CYP2C9TSHR | |
| SCHEMBL6208880 | 0.86 | KDM4E (0.42) | FKBP1ASMYD3ALDH1A1TSHRCYP2C19 | |
| SCHEMBL6208973 | 0.84 | TBXAS1 (0.35) | ALDH1A1VNN1 | |
| SCHEMBL6210597 | 0.83 | PARP1 (0.40) | ALDH1A1CYP2C9PARP1PARP2VNN1 | |
| SCHEMBL6208713 | 0.83 | PARP1 (0.36) | ALDH1A1TSHRPARP1 | |
| SCHEMBL6210118 | 0.82 | DPP4 (0.44) | SMYD3ALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL6211755 | 0.81 | DPP4 (0.45) | SMYD3ALDH1A1 | |
| SCHEMBL4046437 | 0.81 | FKBP1A (0.41) | FKBP1ASMYD3VNN1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1546150-A1 | BIOLOGICALLY ACTIVE COMPOUNDS | Amura Therapeutics Limited (GB) | 2005-06-29 | — | — | EP | claimed |
| WO-2004007501-A1 | BIOLOGICALLY ACTIVE COMPOUNDS | AMURA THERAPEUTICS LIMITED (GB) | 2004-01-22 | — | — | WO | claimed |
| EP-1546150-A1 | BIOLOGICALLY ACTIVE COMPOUNDS | Amura Therapeutics Limited (GB) | 2005-06-29 | — | — | EP | disclosed |
| WO-2004007501-A1 | BIOLOGICALLY ACTIVE COMPOUNDS | AMURA THERAPEUTICS LIMITED (GB) | 2004-01-22 | — | — | WO | disclosed |