Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | NOS2 | P35228 | 1/20 | 0.40 |
| ▸ | ACACB | O00763 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | CA12 | O43570 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CA7 | P43166 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL420023 | 0.92 | — | — | |
| Water SCHEMBL11246942 | 0.90 | ALDH1A1 (0.44) | ROCK2ALDH1A1MAPK1ATMTSHR | |
| Trimethylammonium SCHEMBL28058888 | 0.87 | ALDH1A1 (0.42) | ROCK2ALDH1A1MAPK1ATMTSHR | |
| Ether SCHEMBL11246939 | 0.82 | BAZ2B (0.41) | ROCK2ALDH1A1MAPK1ATMACACB | |
| Biphenyl SCHEMBL27886012 | 0.81 | TSHR (0.53) | ROCK2ALDH1A1TSHRGAA | |
| SCHEMBL31258555 | 0.79 | — | — | |
| SCHEMBL19100007 | 0.79 | CA12 (0.48) | ALDH1A1MAPK1NOS2ACACBKDM4E | |
| SCHEMBL659350 | 0.77 | ACACB (0.50) | ROCK2NOS2ACACBROCK1XDH | |
| SCHEMBL930017 | 0.76 | ALDH1A1 (0.42) | ROCK2ALDH1A1NOS2ACACBROCK1 | |
| SCHEMBL29058357 | 0.75 | ALDH1A1 (0.47) | ALDH1A1NOS2ACACBTSHRKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-1337508-A1 | PREPARATION OF SODIUM-HYDROGEN EXCHANGER TYPE-1 INHIBITORS | Pfizer Products Inc. (US) | 2003-08-27 | — | — | EP | disclosed |
| WO-2002044133-A1 | PREPARATION OF SODIUM-HYDROGEN EXCHANGER TYPE-1 INHIBITORS | PFIZER PRODUCTS INC. (US) | 2002-06-06 | — | — | WO | disclosed |