Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRD5A2 | P31213 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | IDH1 | O75874 | 1/20 | 0.38 |
| ▸ | LDHA | P00338 | 1/20 | 0.38 |
| ▸ | LDHB | P07195 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | LTA4H | P09960 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 2/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.36 |
| ▸ | TMEM97 | Q5BJF2 | 3/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | HTR2B | P41595 | 1/20 | 0.36 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL797180 | 0.80 | — | — | |
| SCHEMBL19611828 | 0.77 | CALM1 (0.48) | IDH1TAAR1LTA4H | |
| SCHEMBL24685660 | 0.77 | SRD5A2 (0.46) | SRD5A2ALDH1A1TAAR1LTA4HIDO1 | |
| SCHEMBL2419560 | 0.75 | LDHA (0.45) | SRD5A2ALDH1A1IDH1LDHALDHB | |
| SCHEMBL2096666 | 0.75 | SRD5A2 (0.59) | SRD5A2ALDH1A1IDH1TAAR1LTA4H | |
| SCHEMBL2416434 | 0.72 | CES2 (0.39) | — | |
| SCHEMBL25050107 | 0.72 | IDH1 (0.53) | SRD5A2IDH1TAAR1LTA4HIDO1 | |
| SCHEMBL16155871 | 0.70 | BCHE (0.53) | SRD5A2ALDH1A1IDH1TAAR1LTA4H | |
| SCHEMBL31277159 | 0.70 | SRD5A2 (0.50) | SRD5A2ALDH1A1IDH1TAAR1LTA4H | |
| SCHEMBL28379126 | 0.69 | LTA4H (0.45) | SRD5A2IDH1TAAR1LTA4HIDO1 |
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 |
|---|---|---|---|---|---|---|---|
| US-8026275-B2 | Compositions, methods of use and preparation of 2,6-diisopropyl phenol and analogs for ischemic injury | ABRAXIS BIOSCIENCE, LLC (US) | 2011-09-27 | — | — | US | claimed |