Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | ACVR1 | Q04771 | 4/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.41 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.39 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.39 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.37 |
| ▸ | KDM4D | Q6B0I6 | 1/20 | 0.37 |
| ▸ | BMPR1B | O00238 | 1/20 | 0.36 |
| ▸ | RAF1 | P04049 | 1/20 | 0.36 |
| ▸ | BRAF | P15056 | 1/20 | 0.36 |
| ▸ | BMPR1A | P36894 | 1/20 | 0.36 |
| ▸ | ACVR1B | P36896 | 1/20 | 0.36 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL14374170 | 0.81 | MAPT (0.56) | KDM4EMAPTPDE3BPDE3ACYP3A4 | |
| SCHEMBL14347279 | 0.80 | MAPT (0.42) | KDM4EMAPTACVR1CYP19A1NCOA1 | |
| SCHEMBL14374978 | 0.74 | TSHR (0.51) | KDM4EMAPTSMN1; SMN2LMNA | |
| SCHEMBL14374785 | 0.73 | CYP1A2 (0.53) | KDM4EMAPTACVR1NCOA1CYP3A4 | |
| SCHEMBL1982985 | 0.73 | CYP3A4 (0.47) | KDM4EMAPTACVR1NCOA1CYP3A4 | |
| SCHEMBL14374778 | 0.73 | RXFP1 (0.43) | KDM4E | |
| SCHEMBL14374177 | 0.72 | DYRK1A (0.38) | PDE3BPDE3A | |
| SCHEMBL14374782 | 0.72 | PDE10A (0.41) | KDM4EMAPTACVR1CYP19A1NCOA1 | |
| SCHEMBL6191956 | 0.70 | KDM4E (0.53) | KDM4EPDE3BPDE3ACYP1A2SMN1; SMN2 | |
| SCHEMBL14374834 | 0.70 | SMN1; SMN2 (0.49) | KDM4ESMN1; SMN2LMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-7312211-B2 | Pryanone compounds useful as reversible inhibitors of cysteine proteases | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. | 2007-12-25 | — | — | US | disclosed |