Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 3/20 | 0.52 |
| ▸ | GRM4 | Q14833 | 4/20 | 0.49 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.48 |
| ▸ | IMPDH2 | P12268 | 4/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | KCNH3 | Q9ULD8 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | CDC7 | O00311 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL17194815 | 0.84 | IMPDH2 (0.65) | ROCK2GRM4ROCK1IMPDH2CYP1A2 | |
| SCHEMBL30387605 | 0.79 | MAPT (0.53) | ROCK2ROCK1IMPDH2CYP1A2MAPT | |
| SCHEMBL1551786 | 0.79 | MAPT (0.53) | ROCK2ROCK1IMPDH2CYP1A2MAPT | |
| SCHEMBL28504115 | 0.79 | IMPDH2 (0.47) | ROCK2GRM4IMPDH2CYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL2341695 | 0.77 | MAPT (0.51) | ROCK2ROCK1IMPDH2CYP1A2MAPT | |
| SCHEMBL18311786 | 0.77 | ALDH1A1 (0.63) | ROCK2GRM4ROCK1IMPDH2CYP1A2 | |
| SCHEMBL24125025 | 0.76 | IMPDH2 (0.45) | GRM4IMPDH2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL12475972 | 0.76 | ALDH1A1 (0.73) | CYP1A2CYP3A4CYP2D6CYP2C9RAB9A | |
| SCHEMBL21282170 | 0.75 | PIK3CA (0.48) | ROCK2GRM4IMPDH2CYP1A2CYP3A4 | |
| SCHEMBL10569084 | 0.75 | MEN1 (0.61) | KCNH3RAB9AALDH1A1HTTMEN1 |
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-2016175533-A2 | COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE COMPRISING SAME | 덕산네오룩스 주식회사 | 2016-11-03 | — | — | WO | disclosed |