Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 3/20 | 0.53 |
| ▸ | NPC1 | O15118 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | APP | P05067 | 6/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | F2 | P00734 | 2/20 | 0.48 |
| ▸ | F10 | P00742 | 2/20 | 0.48 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.48 |
| ▸ | F7 | P08709 | 2/20 | 0.48 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.48 |
| ▸ | F3 | P13726 | 1/20 | 0.48 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.46 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL14167822 | 0.87 | HPGD (0.56) | HPGDNPC1RAB9ASMN1; SMN2APP | |
| SCHEMBL9678074 | 0.87 | ACHE (0.43) | NPC1RAB9ASMN1; SMN2MEN1POLB | |
| SCHEMBL16231336 | 0.83 | HPGD (0.52) | HPGDNPC1RAB9ASMN1; SMN2APP | |
| SCHEMBL6367148 | 0.83 | HPGD (0.54) | HPGDNPC1RAB9ASMN1; SMN2APP | |
| SCHEMBL9676552 | 0.83 | ACHE (0.44) | NPC1RAB9ASMN1; SMN2MEN1GAA | |
| SCHEMBL19734616 | 0.83 | NPC1 (0.57) | HPGDNPC1RAB9ASMN1; SMN2APP | |
| SCHEMBL9179288 | 0.82 | TSHR (0.53) | APPGAA | |
| SCHEMBL6366936 | 0.82 | HPGD (0.55) | HPGDNPC1RAB9ASMN1; SMN2APP | |
| SCHEMBL18857785 | 0.81 | LMNA (0.50) | HPGDNPC1RAB9ASMN1; SMN2APP | |
| SCHEMBL31161055 | 0.81 | LMNA (0.47) | HPGDNPC1RAB9ASMN1; SMN2APP |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5129954-A | BETA-HYDROXYESTERS FOR USE AS VANILLIN-RELEASE ADDITIVES IN SMOKING COMPOSITIONS | PHILIP MORRIS INCORPORATED (US) | 1992-07-14 | — | — | US | claimed |
| EP-0461872-A2 | Smoking compositions containing a vanillin-release beta-hydroxyester additive | Philip Morris Products Inc. (US) | 1991-12-18 | — | — | EP | claimed |
| US-5129954-A | BETA-HYDROXYESTERS FOR USE AS VANILLIN-RELEASE ADDITIVES IN SMOKING COMPOSITIONS | PHILIP MORRIS INCORPORATED (US) | 1992-07-14 | — | — | US | disclosed |
| EP-0461872-A2 | Smoking compositions containing a vanillin-release beta-hydroxyester additive | Philip Morris Products Inc. (US) | 1991-12-18 | — | — | EP | disclosed |