Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 4/20 | 0.55 |
| ▸ | CA1 | P00915 | 4/20 | 0.55 |
| ▸ | CA2 | P00918 | 4/20 | 0.55 |
| ▸ | CA7 | P43166 | 4/20 | 0.55 |
| ▸ | CA9 | Q16790 | 4/20 | 0.55 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.55 |
| ▸ | ESR1 | P03372 | 2/20 | 0.55 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
| ▸ | ACHE | P22303 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | MIF | P14174 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| P-Cresol SCHEMBL27330448 | 0.87 | ALDH1A1 (0.56) | CA12CA1CA2CA7CA9 | |
| Ethyl Propionate SCHEMBL6266819 | 0.84 | GAA (0.53) | CA12CA1CA2CA7CA9 | |
| P-Cresol SCHEMBL28236037 | 0.82 | ALDH1A1 (0.58) | CA12CA1CA2CA7CA9 | |
| Ethyl Propionate SCHEMBL27658259 | 0.82 | MEN1 (0.52) | KMT2AACHEMAPTALDH1A1NPC1 | |
| SCHEMBL3134365 | 0.80 | ALDH1A1 (0.50) | KMT2AMAPTALDH1A1RAB9ANPC1 | |
| Ethyl Propionate SCHEMBL4314413 | 0.79 | MGAM (0.50) | CA12CA1CA2CA7CA9 | |
| Malonic Acid Diethyl Ester SCHEMBL8399632 | 0.79 | GAA (0.71) | KMT2AMAPTALDH1A1RAB9AGAA | |
| P-Cresol SCHEMBL7218273 | 0.79 | ACHE (0.62) | CA12CA1CA2CA7CA9 | |
| P-Cresol SCHEMBL11433043 | 0.79 | ACHE (0.62) | CA12CA1CA2CA7CA9 | |
| Ethyl Propionate SCHEMBL23581111 | 0.78 | CYP4F2 (0.51) | CA1CA2KMT2AMAPTALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101411704-B | Use of pyrimidine-substituted phenylpropionic acid compound in preparing medicament for preventing and/or treating diabetes | SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) | 2012-02-01 | — | — | CN | disclosed |
| CN-101411704-A | Use of pyrimidine-substituted phenylpropionic acid compound in preparing medicament for preventing and/or treating diabetes | SHANGHAI INST MATERIA MEDICA (CN) | 2009-04-22 | — | — | CN | disclosed |