Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | ELANE | P08246 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.41 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.41 |
| ▸ | TNF | P01375 | 4/20 | 0.41 |
| ▸ | PDE4A | P27815 | 2/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.40 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.40 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6364898 | 0.80 | TDP1 (0.52) | KMT2APOLBALDH1A1LMNAKDM4E | |
| SCHEMBL8096047 | 0.78 | ALDH1A1 (0.40) | ALDH1A1LMNANPSR1GAAHPGD | |
| SCHEMBL15241103 | 0.77 | TDP1 (0.46) | POLBALDH1A1LMNAKDM4EGAA | |
| SCHEMBL15240556 | 0.77 | TDP1 (0.46) | POLBALDH1A1LMNAKDM4EGAA | |
| SCHEMBL7054656 | 0.77 | TDP1 (0.46) | POLBALDH1A1LMNAKDM4EGAA | |
| SCHEMBL11685677 | 0.76 | TNF (0.52) | POLBALDH1A1LMNAKDM4EGAA | |
| SCHEMBL6235686 | 0.74 | ALDH1A1 (0.44) | POLBALDH1A1LMNAKDM4EGAA | |
| SCHEMBL8837643 | 0.74 | POLB (0.48) | KMT2APOLBALDH1A1LMNAKDM4E | |
| SCHEMBL38654924 | 0.74 | HPGD (0.48) | KMT2ANPSR1CYP2D6HPGDMAPK1 | |
| SCHEMBL14830919 | 0.73 | LMNA (0.45) | KMT2APOLBELANEALDH1A1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004013321-A1 | ESTERASE ESTA (XC4A) OF XANTHOMONAS VESICATORIA | DEGUSSA AG (DE) | 2004-02-12 | — | — | WO | disclosed |
| WO-2003018789-A1 | ESTERASE EST4B1 OBTAINED FROM BACILLUS SUBTILIS | DEGUSSA AG (DE) | 2003-03-06 | — | — | WO | disclosed |