Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | CFTR | P13569 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | CRHBP | P24387 | 1/20 | 0.41 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL31287979 | 1.00 | ALDH1A1 (0.47) | ALDH1A1KDM4EHSD17B10LMNATSHR | |
| SCHEMBL16955242 | 0.83 | TSHR (0.44) | ALDH1A1KDM4EHSD17B10LMNATSHR | |
| SCHEMBL16719456 | 0.83 | TSHR (0.44) | ALDH1A1KDM4EHSD17B10LMNATSHR | |
| SCHEMBL181067 | 0.82 | ALDH1A1 (0.55) | ALDH1A1KDM4EHSD17B10LMNATSHR | |
| SCHEMBL987813 | 0.82 | TSHR (0.57) | ALDH1A1KDM4EHSD17B10LMNATSHR | |
| SCHEMBL646271 | 0.81 | ALDH1A1 (0.50) | ALDH1A1KDM4EHSD17B10LMNATSHR | |
| SCHEMBL30506574 | 0.81 | ALDH1A1 (0.50) | ALDH1A1KDM4EHSD17B10LMNATSHR | |
| SCHEMBL14050225 | 0.81 | ALDH1A1 (0.52) | ALDH1A1KDM4EHSD17B10LMNATSHR | |
| SCHEMBL2383149 | 0.81 | CA12 (0.48) | ALDH1A1KDM4EHSD17B10LMNATSHR | |
| SCHEMBL1449117 | 0.81 | POLB (0.42) | ALDH1A1KDM4ELMNATSHRPOLB |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105358547-B | Phenylpyrazole derivatives as ROCK1 and ROCK2 inhibitor | 百时美施贵宝公司 | 2018-04-03 | — | — | CN | disclosed |
| CN-107108581-A | Tieback benzamide derivatives as potent ROCK inhibitors | 百时美施贵宝公司 | 2017-08-29 | — | — | CN | disclosed |
| CN-106817899-A | Spiroheptane as ROCK inhibitor | 百时美施贵宝公司 | 2017-06-09 | — | — | CN | disclosed |
| CN-105358547-A | Phenylpyrazole derivatives as potent rock1 and rock2 inhibitors | BRISTOL MYERS SQUIBB CO | 2016-02-24 | — | — | CN | disclosed |
| US-7442760-B2 | Electroactive polymers | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2008-10-28 | — | — | US | disclosed |
| US-20080026135-A1 | ELECTRON TRANSPORT AGENTS FOR ORGANIC ELECTRONIC DEVICES | 3M INNOVATIVE PROPERTIES COMPANY | 2008-01-31 | — | — | US | disclosed |
| US-7271406-B2 | Electron transport agents for organic electronic devices | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2007-09-18 | — | — | US | disclosed |
| US-7094902-B2 | Electroactive polymers | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2006-08-22 | — | — | US | disclosed |
| US-20060155106-A1 | ELECTROACTIVE POLYMERS | 3M INNOVATIVE PROPERTIES COMPANY | 2006-07-13 | — | — | US | disclosed |
| EP-1618169-A1 | ELECTRON TRANSPORT AGENTS FOR ORGANIC ELECTRONIC DEVICES | 3M Innovative Properties Company (US) | 2006-01-25 | — | — | EP | disclosed |
| EP-1573789-A2 | ELECTROACTIVE POLYMERS | 3M Innovative Properties Company (US) | 2005-09-14 | — | — | EP | disclosed |
| WO-2004102615-A2 | ELECTROACTIVE POLYMERS | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2004-11-25 | — | — | WO | disclosed |
| WO-2004096948-A1 | ELECTRON TRANSPORT AGENTS FOR ORGANIC ELECTRONIC DEVICES | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2004-11-11 | — | — | WO | disclosed |
| US-20040214036-A1 | Electron transport agents for organic electronic devices | 3M INNOVATIVE PROPERTIES COMPANY | 2004-10-28 | — | — | US | disclosed |
| US-20040062930-A1 | Electroactive polymers | 3M INNOVATIVE PROPERTIES COMPANY | 2004-04-01 | — | — | US | disclosed |