Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | DUSP3 | P51452 | 2/20 | 0.44 |
| ▸ | PTPN5 | P54829 | 2/20 | 0.44 |
| ▸ | PTPN11 | Q06124 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.35 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL22340249 | 0.82 | HPGD (0.37) | ALDH1A1RAB9ANPC1LMNAPOLB | |
| SCHEMBL14547446 | 0.81 | MAPT (0.48) | ALDH1A1LMNAPOLBMAPTKDM4E | |
| SCHEMBL22643223 | 0.81 | HPGD (0.36) | ALDH1A1RAB9ANPC1LMNAPOLB | |
| SCHEMBL6595771 | 0.81 | DUSP3 (0.49) | ALDH1A1DUSP3PTPN5PTPN11MAPT | |
| SCHEMBL1370673 | 0.78 | HPGD (0.35) | MAPTMAPK1HTR1DHTR1BHTR2A | |
| SCHEMBL18828660 | 0.77 | CA2 (0.35) | — | |
| SCHEMBL3773093 | 0.76 | DPP4 (0.34) | — | |
| SCHEMBL20310914 | 0.74 | KDM4E (0.34) | KDM4ESMN1; SMN2 | |
| SCHEMBL24181233 | 0.73 | RAB9A (0.42) | ALDH1A1DUSP3PTPN5PTPN11RAB9A | |
| SCHEMBL21613823 | 0.72 | DHCR7 (0.39) | RAB9APOLBKDM4EHRH3HTT |
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 |
|---|---|---|---|---|---|---|---|
| EP-2970228-B1 | SUBSTITUTED 2-AZA-BICYCLO[2.2.1]HEPTANE-3-CARBOXYLIC ACID (CYANO-METHYL)-AMIDES INHIBITORS OF CATHEPSIN C | BOEHRINGER INGELHEIM INT (DE) | 2017-05-10 | — | — | EP | disclosed |