Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | ANPEP | P15144 | 2/20 | 0.38 |
| ▸ | ERAP2 | Q6P179 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | PARP1 | P09874 | 1/20 | 0.35 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.34 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.34 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | SCN1A | P35498 | 1/20 | 0.33 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.33 |
| ▸ | SCN3A | Q9NY46 | 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 | |
|---|---|---|---|---|
| SCHEMBL354832 | 0.98 | ANPEP (0.40) | GAARAB9ASMN1; SMN2ANPEPERAP2 | |
| SCHEMBL7026982 | 0.81 | ANPEP (0.44) | SMN1; SMN2ANPEPERAP2KDM4EEPHX1 | |
| SCHEMBL14634284 | 0.80 | KDM4E (0.52) | SMN1; SMN2ANPEPERAP2KDM4ECYP1A2 | |
| SCHEMBL3698121 | 0.79 | KDM4E (0.46) | SMN1; SMN2ANPEPERAP2KDM4EEPHX1 | |
| SCHEMBL16471992 | 0.78 | KDM4E (0.38) | GAARAB9ASMN1; SMN2ANPEPERAP2 | |
| SCHEMBL13361063 | 0.76 | — | — | |
| SCHEMBL17743423 | 0.75 | KDM4E (0.48) | GAARAB9ASMN1; SMN2ANPEPERAP2 | |
| SCHEMBL7776906 | 0.74 | ALDH1A1 (0.53) | GAARAB9ASMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL28901363 | 0.73 | ANPEP (0.41) | ANPEPERAP2KDM4EEPHX1CXCR4 | |
| SCHEMBL16350105 | 0.73 | TDP1 (0.38) | — |
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-3724251-A1 | IONIC HYDROPHILIZED POLYISOCYANATES, WATER CONTENT | Covestro Intellectual Property GmbH & Co. KG (DE) | 2020-10-21 | — | — | EP | disclosed |