Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 9/20 | 0.57 |
| ▸ | CES1 | P23141 | 9/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | BCHE | P06276 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.34 |
| ▸ | MAP2K1 | Q02750 | 3/20 | 0.34 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.34 |
| ▸ | MAP2K2 | P36507 | 2/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA4 | P22748 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL525011 | 0.92 | CES2 (0.67) | CES2CES1ALDH1A1ALOX15BCHE | |
| SCHEMBL345016 | 0.89 | ALDH1A1 (0.48) | CES2CES1ALDH1A1ALOX15BCHE | |
| SCHEMBL7728912 | 0.89 | CES2 (0.53) | CES2CES1ALDH1A1ALOX15BCHE | |
| SCHEMBL8703978 | 0.80 | CES2 (0.48) | CES2CES1ALDH1A1ALOX15MEN1 | |
| SCHEMBL8093617 | 0.76 | CES2 (0.43) | CES2CES1ALDH1A1ALOX15KMT2A | |
| SCHEMBL6324748 | 0.75 | ALDH1A1 (0.43) | CES2CES1ALDH1A1ALOX15PIK3CA | |
| SCHEMBL8072641 | 0.75 | ALDH1A1 (0.43) | CES2CES1ALDH1A1ALOX15BCHE | |
| SCHEMBL1774412 | 0.75 | ALDH1A1 (0.48) | CES2CES1ALDH1A1ALOX15BCHE | |
| SCHEMBL9860898 | 0.75 | CES2 (0.50) | CES2CES1ALDH1A1ALOX15BCHE | |
| SCHEMBL1408469 | 0.73 | ALDH1A1 (0.42) | CES2CES1ALDH1A1ALOX15SMN1; SMN2 |
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-1015479-A4 | COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC MACROCYCLES AND PROCESSES THEREFOR | LILLY CO ELI (US) | 2002-07-24 | — | — | EP | disclosed |
| EP-1015479-A1 | COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC MACROCYCLES AND PROCESSES THEREFOR | ELI LILLY AND COMPANY (US) | 2000-07-05 | — | — | EP | disclosed |
| WO-1998046631-A1 | COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC MACROCYCLES AND PROCESSES THEREFOR | ELI LILLY AND COMPANY (US) | 1998-10-22 | — | — | WO | disclosed |
| WO-1998008813-A1 | COMBINATORIAL PROCESS FOR PREPARING SUBSTITUTED PYRROLIDINE LIBRARIES | ELI LILLY AND COMPANY (US) | 1998-03-05 | — | — | WO | disclosed |