Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.34 |
| ▸ | HTT | P42858 | 3/20 | 0.33 |
| ▸ | ATM | Q13315 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | F2 | P00734 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | METAP1 | P53582 | 2/20 | 0.33 |
| ▸ | RAD52 | P43351 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | HTR5A | P47898 | 2/20 | 0.31 |
| ▸ | MMP12 | P39900 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | THRB | P10828 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL17193794 | 0.85 | KDM4E (0.37) | KDM4EHTTATMALDH1A1SMN1; SMN2 | |
| SCHEMBL12180466 | 0.81 | KDM4E (0.38) | KDM4EHTTATMALDH1A1SMN1; SMN2 | |
| SCHEMBL17193793 | 0.80 | AKR1B1 (0.35) | ALDH1A1HTR2C | |
| SCHEMBL12233255 | 0.78 | KDM4E (0.35) | KDM4EHTTATMALDH1A1SMN1; SMN2 | |
| SCHEMBL12301085 | 0.76 | KDM4E (0.36) | KDM4EHTTATMALDH1A1SMN1; SMN2 | |
| SCHEMBL18469509 | 0.75 | KDM4E (0.33) | KDM4EHTTATMALDH1A1SMN1; SMN2 | |
| SCHEMBL14449367 | 0.75 | KDM4E (0.33) | KDM4EHTTATMALDH1A1SMN1; SMN2 | |
| SCHEMBL18536298 | 0.75 | CYP2D6 (0.39) | SMN1; SMN2LMNACYP3A4 | |
| SCHEMBL12301086 | 0.73 | KDM4E (0.33) | KDM4EHTTATMALDH1A1SMN1; SMN2 | |
| SCHEMBL19954246 | 0.73 | AKT1 (0.35) | KDM4EHTTATMALDH1A1SMN1; SMN2 |
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-3133071-A1 | C-ARYL INDICAN DERIVATIVE, AND PHARMACEUTICAL COMPOSITION THEREOF, PREPARATION METHOD THEREFOR AND USES THEREOF | Shanghai De Novo Pharmatech Co Ltd. (CN) | 2017-02-22 | — | — | EP | disclosed |
| WO-2015158206-A1 | C-ARYL INDICAN DERIVATIVE, AND PHARMACEUTICAL COMPOSITION THEREOF, PREPARATION METHOD THEREFOR AND USES THEREOF | 上海迪诺医药科技有限公司 | 2015-10-22 | — | — | WO | disclosed |