Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.59 |
| ▸ | EPHX1 | P07099 | 6/20 | 0.56 |
| ▸ | FAAH | O00519 | 1/20 | 0.52 |
| ▸ | CES2 | O00748 | 5/20 | 0.50 |
| ▸ | CES1 | P23141 | 3/20 | 0.50 |
| ▸ | ZDHHC7 | Q9NXF8 | 1/20 | 0.50 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.48 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.48 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.48 |
| ▸ | PPARG | P37231 | 1/20 | 0.48 |
| ▸ | PPARD | Q03181 | 1/20 | 0.48 |
| ▸ | PPARA | Q07869 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| Heptane SCHEMBL8984142 | 1.00 | ALDH1A1 (0.59) | ALDH1A1EPHX1FAAHCES2CES1 | |
| Octane SCHEMBL28055318 | 1.00 | ALDH1A1 (0.59) | ALDH1A1EPHX1FAAHCES2CES1 | |
| Pentadecane SCHEMBL30878097 | 1.00 | ALDH1A1 (0.59) | ALDH1A1EPHX1FAAHCES2CES1 | |
| Hexane SCHEMBL3254219 | 0.97 | ALDH1A1 (0.62) | ALDH1A1EPHX1FAAHCES2CES1 | |
| Hexane SCHEMBL849892 | 0.97 | ALDH1A1 (0.62) | ALDH1A1EPHX1FAAHCES2CES1 | |
| Hexane SCHEMBL1273659 | 0.97 | ALDH1A1 (0.62) | ALDH1A1EPHX1FAAHCES2CES1 | |
| Hexane SCHEMBL5781814 | 0.97 | ALDH1A1 (0.62) | ALDH1A1EPHX1FAAHCES2CES1 | |
| Hexane SCHEMBL3428301 | 0.97 | ALDH1A1 (0.62) | ALDH1A1EPHX1FAAHCES2CES1 | |
| Hexane SCHEMBL9143198 | 0.97 | ALDH1A1 (0.62) | ALDH1A1EPHX1FAAHCES2CES1 | |
| Hexane SCHEMBL28216413 | 0.94 | ALDH1A1 (0.59) | ALDH1A1EPHX1FAAHCES2CES1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102942482-B | Methods and compounds for producing dipeptidyl peptidase IV inhibitors and intermediates thereof | ASTRAZENECA AB (SE) | 2015-11-18 | — | — | CN | disclosed |
| CN-102070451-B | Methods and compounds producing dipeptidyl peptidase IV inhibitors and intermediates thereof | ASTRAZENECA AB | 2015-07-15 | — | — | CN | disclosed |
| CN-104341320-A | Preparation method of key intermediate VIII of saxagliptin | SU ZHOU JING HONG BIOTECH CO LTD | 2015-02-11 | — | — | CN | disclosed |
| CN-102942482-A | Methods and compounds for producing dipeptidyl peptidase IV inhibitors and intermediates thereof | BRISTOL MYERS SQUIBB CO | 2013-02-27 | — | — | CN | disclosed |
| CN-1791401-B | Methods and compounds for producing dipeptidyl peptidase IV inhibitors and intermediates thereof | BRISTOL MYERS SQUIBB CO | 2012-10-03 | — | — | CN | disclosed |
| CN-102070451-A | Methods and compounds producing dipeptidyl peptidase IV inhibitors and intermediates thereof | BRISTOL MYERS SQUIBB CO | 2011-05-25 | — | — | CN | disclosed |
| CN-1791401-A | Methods and compounds for producing dipeptidyl peptidase IV inhibitors and intermediates thereof | BRISTOL MYERS SQUIBB CO (US) | 2006-06-21 | — | — | CN | disclosed |