Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | MTNR1A | P48039 | 3/20 | 0.52 |
| ▸ | MTNR1B | P49286 | 3/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.48 |
| ▸ | FLT3 | P36888 | 1/20 | 0.48 |
| ▸ | ACHE | P22303 | 1/20 | 0.48 |
| ▸ | BACE1 | P56817 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL8199064 | 0.89 | SMN1; SMN2 (0.64) | SMN1; SMN2ALDH1A1MTNR1AMTNR1BHTT | |
| Tert-Butyl Formate SCHEMBL28033001 | 0.87 | FLT3 (0.49) | EPHX2FLT3NPC1RAB9A | |
| Tert-Butyl Formate SCHEMBL28822399 | 0.87 | F10 (0.49) | EPHX2FLT3 | |
| Tert-Butyl Formate SCHEMBL28264103 | 0.84 | FLT3 (0.47) | SMN1; SMN2ALDH1A1FLT3 | |
| Tert-Butyl Formate SCHEMBL28033058 | 0.83 | GAA (0.51) | SMN1; SMN2ALDH1A1HPGDFLT3ACHE | |
| SCHEMBL8324607 | 0.79 | MTNR1A (0.71) | SMN1; SMN2ALDH1A1MTNR1AMTNR1BHTT | |
| Tert-Butyl Formate SCHEMBL28032936 | 0.79 | MAPT (0.63) | SMN1; SMN2ALDH1A1POLBNPC1RAB9A | |
| SCHEMBL5205624 | 0.76 | NPC1 (0.69) | MTNR1AMTNR1BHTTHPGDEPHX2 | |
| Tert-Butyl Formate SCHEMBL28129459 | 0.75 | EPHX2 (0.47) | SMN1; SMN2ALDH1A1HPGDNPSR1EPHX2 | |
| SCHEMBL1253656 | 0.75 | FLT3 (0.60) | ALDH1A1HPGDEPHX2FLT3RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| CN-104945470-A | Tripeptide epoxy ketone compound constructed by heterocycle as well as preparation method and application thereof | UNIV ZHEJIANG | 2015-09-30 | — | — | CN | disclosed |