Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 8/20 | 0.46 |
| ▸ | TMEM97 | Q5BJF2 | 7/20 | 0.46 |
| ▸ | PKM | P14618 | 2/20 | 0.41 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | NPY1R | P25929 | 1/20 | 0.37 |
| ▸ | NPY2R | P49146 | 1/20 | 0.37 |
| ▸ | LTA4H | P09960 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | KDM5A | P29375 | 2/20 | 0.36 |
| ▸ | KDM4A | O75164 | 1/20 | 0.36 |
| ▸ | KDM5C | P41229 | 1/20 | 0.36 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6648160 | 0.87 | THRA (0.42) | SIGMAR1TMEM97PKMPLA2G2AALDH1A1 | |
| SCHEMBL6646047 | 0.85 | TPMT (0.46) | SIGMAR1TMEM97PLA2G2AALDH1A1KDM4E | |
| SCHEMBL3351506 | 0.85 | SIGMAR1 (0.44) | SIGMAR1TMEM97ALDH1A1KDM4E | |
| SCHEMBL3352072 | 0.81 | TPMT (0.44) | SIGMAR1TMEM97PLA2G2AKDM4ENPY1R | |
| SCHEMBL2394367 | 0.81 | ALDH1A1 (0.51) | ALDH1A1 | |
| SCHEMBL12699781 | 0.78 | TMEM97 (0.56) | SIGMAR1TMEM97ALDH1A1LTA4H | |
| SCHEMBL6649712 | 0.74 | LTA4H (0.51) | SIGMAR1TMEM97LTA4HKDM5AKDM4A | |
| SCHEMBL27912534 | 0.74 | POLB (0.45) | PLA2G2AALDH1A1TP53 | |
| SCHEMBL2228040 | 0.73 | ALDH1A1 (0.52) | ALDH1A1 | |
| SCHEMBL846399 | 0.73 | RARB (0.56) | SIGMAR1TMEM97ALDH1A1LTA4HTP53 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1453789-A2 | N,N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES | Elan Pharmaceuticals, Inc. (US) | 2004-09-08 | — | — | EP | disclosed |
| WO-2003040096-A2 | N, N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES | ELAN PHARMACEUTICALS, INC. (US) | 2003-05-15 | — | — | WO | disclosed |