Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | GLA | P06280 | 2/20 | 0.45 |
| ▸ | F2 | P00734 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 5/20 | 0.44 |
| ▸ | MAPT | P10636 | 6/20 | 0.41 |
| ▸ | PKM | P14618 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.40 |
| ▸ | ELANE | P08246 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | PDE4A | P27815 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 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 | |
|---|---|---|---|---|
| SCHEMBL11100510 | 0.83 | ALDH1A1 (0.45) | ALDH1A1GLAF2HPGDLMNA | |
| SCHEMBL11375563 | 0.81 | ALDH1A1 (0.44) | ALDH1A1GLAF2HPGDLMNA | |
| SCHEMBL21949349 | 0.81 | ALDH1A1 (0.44) | ALDH1A1GLAF2HPGDLMNA | |
| SCHEMBL7412971 | 0.77 | ALDH1A1 (0.49) | ALDH1A1GLAF2HPGDLMNA | |
| SCHEMBL30015156 | 0.76 | CA12 (0.40) | MAPTKMT2AMEN1 | |
| SCHEMBL5032709 | 0.76 | CA12 (0.40) | MAPTKMT2AMEN1 | |
| SCHEMBL11097016 | 0.75 | ACACB (0.48) | — | |
| SCHEMBL16213698 | 0.74 | KCNJ1 (0.44) | HPGDLMNAMAPTPOLBTSHR | |
| Bromide SCHEMBL20743473 | 0.74 | MBOAT4 (0.39) | MAPTKMT2AMEN1 | |
| SCHEMBL11790413 | 0.74 | KMT2A (0.57) | ALDH1A1GLAF2HPGDLMNA |
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 |
|---|---|---|---|---|---|---|---|
| CN-1278820-A | Pyrrolopyrrolone derivatives as inhibitors of neutrophil elastase | GLAXO GROUP LTD (GB) | 2001-01-03 | — | — | CN | disclosed |