Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 3/20 | 0.35 |
| ▸ | CES1 | P23141 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.35 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.34 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.34 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.34 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.34 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 2/20 | 0.33 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.33 |
| ▸ | EBP | Q15125 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7316961 | 0.84 | ALDH1A1 (0.38) | ALDH1A1TBXA2RHDAC11HDAC3HDAC4 | |
| SCHEMBL7314859 | 0.81 | TBXA2R (0.35) | ALDH1A1TBXA2RHDAC11HDAC3HDAC4 | |
| SCHEMBL7306091 | 0.69 | EBP (0.54) | TBXA2RHDAC11HDAC3HDAC4HDAC1 | |
| SCHEMBL7304642 | 0.69 | EBP (0.54) | TBXA2RHDAC11HDAC3HDAC4HDAC1 | |
| SCHEMBL7306293 | 0.69 | CYP2C19 (0.36) | ALDH1A1TBXA2RHDAC11HDAC3HDAC4 | |
| SCHEMBL7309897 | 0.68 | TBXA2R (0.41) | ALDH1A1TBXA2RHDAC11HDAC3HDAC4 | |
| SCHEMBL17267375 | 0.67 | CYP2C19 (0.48) | ALDH1A1HDAC11HDAC3HDAC4HDAC1 | |
| SCHEMBL1633685 | 0.66 | KIF11 (0.53) | ALDH1A1HDAC11HDAC3HDAC4HDAC1 | |
| SCHEMBL5705332 | 0.66 | HDAC11 (0.47) | ALDH1A1HDAC11HDAC3HDAC4HDAC1 | |
| SCHEMBL7005923 | 0.66 | HDAC11 (0.47) | ALDH1A1HDAC11HDAC3HDAC4HDAC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1041064-A2 | N-substituted alpha aminoacid amides as calcium channel modulators | ELI LILLY AND COMPANY LIMITED (GB) | 2000-10-04 | — | — | EP | disclosed |
| EP-0805147-A1 | Novel N-substituted alpha aminoacid amides as calcium channel modulators | LILLY INDUSTRIES LIMITED (GB) | 1997-11-05 | — | — | EP | disclosed |