Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CFTR | P13569 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.36 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.34 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.34 |
| ▸ | PTPN4 | P29074 | 1/20 | 0.34 |
| ▸ | PTPN9 | P43378 | 1/20 | 0.34 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL22014482 | 0.88 | CFTR (0.52) | CFTRALDH1A1MEN1KMT2APTPN2 | |
| SCHEMBL22014092 | 0.88 | CFTR (0.52) | CFTRALDH1A1MEN1KMT2APTPN2 | |
| SCHEMBL22014317 | 0.83 | CFTR (0.57) | CFTRALDH1A1MEN1KMT2APTPN2 | |
| SCHEMBL8393831 | 0.78 | MAPT (0.49) | SIGMAR1MAPTCHRM2CHRM5CHRM1 | |
| SCHEMBL9041381 | 0.78 | MAPT (0.49) | SIGMAR1MAPTCHRM2CHRM5CHRM1 | |
| SCHEMBL336114 | 0.78 | MAPT (0.49) | SIGMAR1MAPTCHRM5CHRM3ALDH1A1 | |
| SCHEMBL472195 | 0.78 | MAPT (0.49) | SIGMAR1MAPTCHRM5CHRM3ALDH1A1 | |
| SCHEMBL336756 | 0.76 | MAPT (0.50) | SIGMAR1MAPTCHRM5CHRM3MEN1 | |
| SCHEMBL7453394 | 0.76 | MAPT (0.50) | SIGMAR1MAPTCHRM5CHRM3MEN1 | |
| SCHEMBL21961918 | 0.76 | CFTR (0.48) | CFTRALDH1A1MEN1KMT2APTPN2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020102820-A1 | COMPOUNDS FOR USE AS IRON (III) MRI CONTRAST AGENTS CONTAINING ANIONIC PENDENTS AND ANCILLARY GROUPS | THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) | 2020-05-22 | — | — | WO | disclosed |