Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APP | P05067 | 1/20 | 0.56 |
| ▸ | SMPD1 | P17405 | 2/20 | 0.55 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.55 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.55 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | NPC1 | O15118 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
| ▸ | RXRA | P19793 | 1/20 | 0.52 |
| ▸ | ATM | Q13315 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | BCHE | P06276 | 1/20 | 0.51 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.51 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL9724394 | 0.95 | APP (0.62) | APPCYP1A2CYP3A4CYP2C19NPC1 | |
| SCHEMBL19926007 | 0.89 | CYP1A2 (0.49) | APPSMPD1HDAC1HDAC8HDAC6 | |
| SCHEMBL29875230 | 0.89 | CYP1A2 (0.49) | APPSMPD1HDAC1HDAC8HDAC6 | |
| SCHEMBL6583603 | 0.88 | APP (0.66) | APPSMPD1HDAC1HDAC8HDAC6 | |
| SCHEMBL6366353 | 0.87 | NPC1 (0.59) | APPCYP1A2CYP3A4CYP2C19NPC1 | |
| SCHEMBL8607887 | 0.86 | ALDH1A1 (0.49) | APPNPC1RAB9ASMN1; SMN2MAPK1 | |
| SCHEMBL2391945 | 0.85 | SMPD1 (0.61) | APPSMPD1HDAC1HDAC8HDAC6 | |
| SCHEMBL6281909 | 0.85 | CYP1A2 (0.64) | CYP1A2CYP3A4CYP2C19NPC1HPGD | |
| SCHEMBL1007810 | 0.85 | SLC22A12 (0.58) | CYP1A2CYP3A4CYP2C19HPGDSMN1; SMN2 | |
| SCHEMBL908271 | 0.85 | ABL1 (0.59) | CYP1A2CYP3A4CYP2C19NPC1HPGD |
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-0613879-A1 | PHELLODENDRINE ANALOGS AND ALLERGY TYPE IV SUPPRESSOR CONTAINING THE SAME AS ACTIVE INGREDIENT | TSUMURA & CO. (JP) | 1994-09-07 | — | — | EP | disclosed |