Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.52 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.52 |
| ▸ | DRD1 | P21728 | 9/20 | 0.51 |
| ▸ | DRD2 | P14416 | 7/20 | 0.51 |
| ▸ | DRD5 | P21918 | 7/20 | 0.51 |
| ▸ | DRD4 | P21917 | 6/20 | 0.51 |
| ▸ | DRD3 | P35462 | 6/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7849271 | 0.95 | TMEM97 (0.57) | KDM4ESIGMAR1TMEM97DRD1DRD2 | |
| SCHEMBL7838664 | 0.85 | KDM4E (0.56) | KDM4EDRD1DRD2DRD5DRD4 | |
| SCHEMBL7838710 | 0.82 | SLC6A5 (0.53) | SIGMAR1DRD1DRD2DRD5DRD4 | |
| Hydrochloric Acid SCHEMBL7847077 | 0.80 | ACHE (0.47) | DRD2DRD4MAPTCYP2C19KMT2A | |
| SCHEMBL7838157 | 0.79 | HRH3 (0.44) | MAPTCYP2C19MEN1KMT2AHRH3 | |
| SCHEMBL7846886 | 0.78 | SLC6A5 (0.53) | SIGMAR1TMEM97DRD1DRD2DRD5 | |
| Hydrochloric Acid SCHEMBL7850382 | 0.76 | CXCR4 (0.48) | ATMHRH3 | |
| Hydrochloric Acid SCHEMBL7838260 | 0.76 | HRH3 (0.50) | DRD2DRD4CYP2C19KMT2AHRH3 | |
| Hydrochloric Acid SCHEMBL7850453 | 0.75 | HRH3 (0.47) | DRD2DRD4HRH3 | |
| SCHEMBL7850551 | 0.75 | HRH3 (0.47) | DRD2DRD4HRH3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1122252-A1 | NITROGENOUS FUSED HETEROCYCLE COMPOUNDS, PROCESS FOR THE PREPARATION THEREOF AND AGENTS CONTAINING THE SAME | Takeda Chemical Industries, Ltd. (JP) | 2001-08-08 | — | — | EP | disclosed |