Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | ACACB | O00763 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MMP13 | P45452 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | PSMB8 | P28062 | 6/20 | 0.36 |
| ▸ | PSMB5 | P28074 | 4/20 | 0.36 |
| ▸ | PSMB9 | P28065 | 4/20 | 0.35 |
| ▸ | PSMB10 | P40306 | 2/20 | 0.35 |
| ▸ | F2 | P00734 | 1/20 | 0.35 |
| ▸ | PSMB2 | P49721 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7109633 | 0.92 | EPHX2 (0.37) | EPHX2SMN1; SMN2ALDH1A1ACACBGAA | |
| Hydrochloric Acid SCHEMBL7774712 | 0.90 | CACNA1B (0.38) | ACACBF2 | |
| SCHEMBL7108120 | 0.89 | HTR2C (0.42) | SMN1; SMN2NPC1RAB9A | |
| SCHEMBL7109567 | 0.88 | CTSC (0.33) | ALDH1A1ACACBF2 | |
| SCHEMBL7110091 | 0.85 | ACACB (0.38) | SMN1; SMN2ALDH1A1ACACBGAANPC1 | |
| SCHEMBL7109533 | 0.84 | CACNA1B (0.38) | ACACBF2 | |
| SCHEMBL7107079 | 0.83 | NPC1 (0.39) | ALDH1A1MMP13NPC1RAB9AHPGD | |
| SCHEMBL7110833 | 0.83 | ACACB (0.41) | ACACBF2 | |
| SCHEMBL7104098 | 0.83 | EPHX2 (0.37) | EPHX2SMN1; SMN2ALDH1A1ACACBGAA | |
| SCHEMBL7109634 | 0.80 | EPHX2 (0.36) | EPHX2SMN1; SMN2ALDH1A1ACACBGAA |
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 |
|---|---|---|---|---|---|---|---|
| US-6903119-B1 | Amino acid derivatives and drugs containing the same as the active ingredient | ONO PHARMACEUTICAL CO., LTD. (JP) | 2005-06-07 | — | — | US | disclosed |
| EP-1097929-A1 | AMINO ACID DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT | ONO PHARMACEUTICAL CO., LTD. (JP) | 2001-05-09 | — | — | EP | disclosed |