Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | EPOR | P19235 | 4/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.39 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.39 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.39 |
| ▸ | CTSK | P43235 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL4855510 | 0.99 | CYP3A4 (0.43) | CYP3A4TSHRKMT2AMEN1EPOR | |
| SCHEMBL1022823 | 0.79 | AKT1 (0.48) | KMT2AMEN1CTSK | |
| Trifluoroacetic Acid SCHEMBL31365830 | 0.78 | MMP2 (0.41) | CYP3A4TSHREPORHDAC3HDAC4 | |
| SCHEMBL3225070 | 0.78 | KMT2A (0.50) | TSHRKMT2AMEN1 | |
| SCHEMBL8878214 | 0.76 | MEN1 (0.43) | CYP3A4KMT2AMEN1 | |
| SCHEMBL8878219 | 0.76 | MEN1 (0.43) | CYP3A4KMT2AMEN1 | |
| SCHEMBL295653 | 0.74 | MDM2 (0.47) | KMT2AMEN1HDAC3HDAC1HDAC7 | |
| SCHEMBL15855818 | 0.73 | KMT2A (0.49) | TSHRKMT2AMEN1 | |
| SCHEMBL15855816 | 0.73 | KMT2A (0.49) | TSHRKMT2AMEN1 | |
| SCHEMBL15855817 | 0.73 | KMT2A (0.49) | TSHRKMT2AMEN1 |
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-1797110-B1 | ANTIBACTERIAL AMIDE MACROCYCLES IV | AICURIS GMBH & CO KG (DE) | 2011-01-12 | — | — | EP | disclosed |