Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 4/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CES2 | O00748 | 3/20 | 0.46 |
| ▸ | CES1 | P23141 | 3/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 3/20 | 0.42 |
| ▸ | RAB9A | P51151 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9510578 | 1.00 | LMNA (0.47) | LMNACYP1A2CYP2C19CYP2C9CES2 | |
| SCHEMBL4937598 | 0.83 | CES2 (0.50) | LMNACYP1A2CYP2C19CES2CES1 | |
| SCHEMBL4937595 | 0.83 | CES2 (0.50) | LMNACYP1A2CYP2C19CES2CES1 | |
| SCHEMBL6157592 | 0.83 | CES2 (0.50) | LMNACYP1A2CYP2C19CES2CES1 | |
| SCHEMBL11822730 | 0.82 | ALDH1A1 (0.53) | LMNACYP1A2CYP2C19CES2CES1 | |
| SCHEMBL6938875 | 0.82 | NR4A1 (0.59) | CYP1A2CYP2C19CES2CES1ALOX15 | |
| SCHEMBL28428071 | 0.82 | NR4A1 (0.59) | CYP1A2CYP2C19CES2CES1ALOX15 | |
| SCHEMBL11715598 | 0.82 | CES2 (0.48) | LMNACYP1A2CYP2C19CES2CES1 | |
| SCHEMBL11822738 | 0.82 | ALDH1A1 (0.53) | LMNACYP1A2CYP2C19CES2CES1 | |
| Bromide SCHEMBL11813077 | 0.80 | ALDH1A1 (0.51) | LMNACYP1A2CYP2C19CES2CES1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0569409-A1 | AMIDE DERIVATIVES AND THEIR THERAPEUTIC USE | THE WELLCOME FOUNDATION LIMITED (GB) | 1993-11-18 | — | — | EP | claimed |
| WO-1992012959-A1 | AMIDE DERIVATIVES AND THEIR THERAPEUTIC USE | THE WELLCOME FOUNDATION LIMITED (GB) | 1992-08-06 | — | — | WO | claimed |
| WO-1992012959-A1 | AMIDE DERIVATIVES AND THEIR THERAPEUTIC USE | THE WELLCOME FOUNDATION LIMITED (GB) | 1992-08-06 | — | — | WO | disclosed |