Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 5/20 | 0.45 |
| ▸ | HTR7 | P34969 | 5/20 | 0.45 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4081400 | 0.91 | SIGMAR1 (0.46) | SIGMAR1ALDH1A1SMN1; SMN2KDM4ETSHR | |
| SCHEMBL205163 | 0.87 | SIGMAR1 (0.44) | SIGMAR1ALDH1A1EPHX2THRBHPGD | |
| SCHEMBL4072326 | 0.87 | SIGMAR1 (0.49) | HTR1AHTR7SIGMAR1ATM | |
| SCHEMBL208174 | 0.86 | SIGMAR1 (0.43) | SIGMAR1ALDH1A1EPHX2THRBHPGD | |
| Propionic Acid SCHEMBL4081494 | 0.86 | SIGMAR1 (0.42) | SIGMAR1ALDH1A1SMN1; SMN2KDM4ETSHR | |
| SCHEMBL207761 | 0.86 | ALDH1A1 (0.51) | ALDH1A1SMN1; SMN2NPC1 | |
| SCHEMBL205991 | 0.84 | USP2 (0.52) | ALDH1A1SMN1; SMN2KDM4EHPGD | |
| SCHEMBL207353 | 0.83 | THRB (0.43) | SIGMAR1ALDH1A1EPHX2THRBHPGD | |
| SCHEMBL205919 | 0.83 | CACNA1G (0.51) | SIGMAR1ALDH1A1TSHRNPC1 | |
| SCHEMBL206991 | 0.83 | EPHX2 (0.43) | SIGMAR1ALDH1A1TSHREPHX2THRB |
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-1745010-B1 | SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES | GRUENENTHAL GMBH (DE) | 2009-08-05 | — | — | EP | claimed |