Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTA4H | P09960 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | DRD2 | P14416 | 3/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 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 | |
|---|---|---|---|---|
| SCHEMBL16112300 | 0.75 | ALDH1A1 (0.46) | LTA4HHSD17B10HRH3SLC6A3ALDH1A1 | |
| SCHEMBL15458084 | 0.73 | ALDH1A1 (0.53) | CYP2C19CYP1A2HSD17B10ALDH1A1TDP1 | |
| SCHEMBL293944 | 0.72 | ALDH1A1 (0.47) | CYP2C19CYP1A2HSD17B10ALDH1A1TDP1 | |
| SCHEMBL1027777 | 0.70 | LTA4H (0.71) | LTA4HCYP2D6CYP2C19CYP1A2HSD17B10 | |
| SCHEMBL16112920 | 0.69 | ATM (0.49) | LTA4HHRH3TDP1KDM4ESIGMAR1 | |
| SCHEMBL1808547 | 0.68 | ALDH1A1 (0.56) | CYP2C19CYP1A2ALDH1A1TDP1ADRA2B | |
| SCHEMBL30150794 | 0.68 | LTA4H (0.73) | LTA4HCYP2D6CYP2C19CYP1A2HSD17B10 | |
| SCHEMBL1031593 | 0.68 | LTA4H (0.73) | LTA4HCYP2D6CYP2C19CYP1A2HSD17B10 | |
| SCHEMBL3580933 | 0.67 | ACVR1 (0.36) | HRH3SLC6A3ALDH1A1KDM4ESLC6A4 | |
| SCHEMBL3571206 | 0.67 | ATM (0.46) | LTA4HHRH3TDP1KDM4ESIGMAR1 |
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-2970311-A2 | BMP INHIBITORS AND METHODS OF USE THEREOF | The Brigham and Women's Hospital, Inc. (US) | 2016-01-20 | — | — | EP | disclosed |
| WO-2014160203-A2 | BMP INHIBITORS AND METHODS OF USE THEREOF | THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) | 2014-10-02 | — | — | WO | disclosed |