Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | ACACB | O00763 | 1/20 | 0.36 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.35 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.35 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.34 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.34 |
| ▸ | DPP4 | P27487 | 1/20 | 0.34 |
| ▸ | PTGES | O14684 | 1/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 1/20 | 0.33 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.33 |
| ▸ | APP | P05067 | 1/20 | 0.33 |
| ▸ | SCN7A | Q01118 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.33 |
| ▸ | PLA2G2D | Q9UNK4 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2231809 | 0.91 | ACACB (0.38) | ACACBAKR1B10AKR1B1DPP4PTGES | |
| SCHEMBL13582679 | 0.89 | RAB9A (0.40) | RAB9ATDP1ACACBCYP4F2CYP4A11 | |
| SCHEMBL13582681 | 0.89 | RAB9A (0.40) | RAB9ATDP1ACACBCYP4F2CYP4A11 | |
| SCHEMBL2231994 | 0.83 | PSEN1 (0.48) | PTGESALOX5PPARG | |
| SCHEMBL2233912 | 0.82 | ACACB (0.41) | TDP1ACACBAKR1B10AKR1B1DPP4 | |
| SCHEMBL13582608 | 0.80 | RAB9A (0.41) | RAB9ATDP1ACACBCYP4F2CYP4A11 | |
| SCHEMBL13582606 | 0.80 | RAB9A (0.41) | RAB9ATDP1ACACBCYP4F2CYP4A11 | |
| SCHEMBL13582482 | 0.79 | PTGER3 (0.41) | ACACBPPARGMAOB | |
| SCHEMBL13582479 | 0.79 | PTGER3 (0.41) | ACACBPPARGMAOB | |
| SCHEMBL2231990 | 0.79 | RAB9A (0.38) | RAB9ATDP1ACACBCYP4F2CYP4A11 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011093524-A1 | DI - SUBSTITUTED PYRIDINE DERIVATIVES AS ANTICANCERS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2011-08-04 | — | — | WO | disclosed |