Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.37 |
| ▸ | RAD52 | P43351 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | TERT | O14746 | 2/20 | 0.36 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.36 |
| ▸ | CDK2 | P24941 | 1/20 | 0.36 |
| ▸ | ILK | Q13418 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | MITF | O75030 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
| ▸ | EGFR | P00533 | 1/20 | 0.34 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.34 |
| ▸ | DNM2 | P50570 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL7889978 | 0.97 | CHEK1 (0.36) | TMEM97SIGMAR1KDM4EALDH1A1CHEK1 | |
| SCHEMBL7096228 | 0.96 | DNM2 (0.36) | TMEM97SIGMAR1KDM4EALDH1A1CHEK1 | |
| SCHEMBL7094312 | 0.84 | SIGMAR1 (0.37) | SIGMAR1KDM4EALDH1A1RAD52KMT2A | |
| SCHEMBL7096075 | 0.81 | MEN1 (0.39) | SIGMAR1ALDH1A1KMT2AMEN1TSHR | |
| SCHEMBL7094646 | 0.80 | NAMPT (0.42) | KDM4EALDH1A1KMT2AMEN1ENPP1 | |
| SCHEMBL6992686 | 0.79 | AKT1 (0.46) | KMT2AILKMEN1TSHR | |
| SCHEMBL7094333 | 0.79 | ROCK2 (0.39) | KDM4EALDH1A1RAD52KMT2AMEN1 | |
| Hydrochloric Acid SCHEMBL7003516 | 0.78 | AKT1 (0.45) | ALDH1A1KMT2AILKMEN1TSHR | |
| SCHEMBL7093132 | 0.77 | HTR6 (0.37) | RAD52HDAC1 | |
| SCHEMBL6998526 | 0.77 | PARP1 (0.47) | KDM4EALDH1A1KMT2AILKMEN1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1268437-A1 | INHIBITORS OF PROTEIN KINASES | Knoll GmbH (DE) | 2003-01-02 | — | — | EP | disclosed |
| WO-2002030908-A1 | INHIBITORS OF PROTEIN KINASES | KNOLL GMBH (DE) | 2002-04-18 | — | — | WO | disclosed |
| US-6297238-B1 | 3-ARYL PYRAZOLES WITH 4,5(3,4)-BICYCLIC RING FUSION WHICH ARE INHIBITORS OF PROTEIN KINASES PARTICULARLY TYROSINE KINASES AND SERINE/THREONINE KINASES | BASF AKTIENGESELLSCHAFT (DE) | 2001-10-02 | — | — | US | disclosed |