Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | MAP2K3 | P46734 | 1/20 | 0.35 |
| ▸ | MMP2 | P08253 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.34 |
| ▸ | DRD2 | P14416 | 2/20 | 0.34 |
| ▸ | DRD4 | P21917 | 2/20 | 0.34 |
| ▸ | DRD3 | P35462 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | F2 | P00734 | 1/20 | 0.33 |
| ▸ | F10 | P00742 | 1/20 | 0.33 |
| ▸ | NOX4 | Q9NPH5 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL226782 | 0.68 | DRD2 (0.40) | MAPK1SMN1; SMN2MAP2K3DRD2DRD4 | |
| SCHEMBL2594507 | 0.68 | EGFR (0.55) | MAPTNOX4 | |
| SCHEMBL1997269 | 0.68 | CA1 (0.57) | MMP2PKMHSD11B1GAA | |
| SCHEMBL6935409 | 0.67 | CA12 (0.55) | MAPK1HSD17B10TSHRSMN1; SMN2MAPT | |
| SCHEMBL6938157 | 0.67 | CA12 (0.55) | MAPK1HSD17B10TSHRSMN1; SMN2MAPT | |
| SCHEMBL3213398 | 0.67 | MAOA (0.34) | DRD2DRD4DRD3 | |
| SCHEMBL14013172 | 0.67 | ESR2 (0.67) | MAPK1LMNASMN1; SMN2MAPTALDH1A1 | |
| Hydrogen Sulfide SCHEMBL5082548 | 0.66 | CA1 (0.55) | MMP2PKMHSD11B1GAA | |
| Iodide SCHEMBL1859836 | 0.66 | CA1 (0.55) | MMP2PKMHSD11B1GAA | |
| SCHEMBL15417657 | 0.66 | L3MBTL1 (0.41) | MAPK1SMN1; SMN2MAPTALDH1A1PKM |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2014039820-A1 | ALDO-KETO REDUCTASE SUBFAMILY 1C3 (AKR1C3) INHIBITORS | GTX, INC. (US) | 2014-03-13 | — | — | WO | disclosed |
| EP-2566330-A1 | NUCLEAR RECEPTOR BINDING AGENTS | Gtx, Inc. (US) | 2013-03-13 | — | — | EP | disclosed |
| WO-2011140228-A1 | NUCLEAR RECEPTOR BINDING AGENTS | GTX, INC. (US) | 2011-11-10 | — | — | WO | disclosed |
| EP-2106212-A2 | NUCLEAR RECEPTOR BINDING AGENTS | GTX, Inc. (US) | 2009-10-07 | — | — | EP | disclosed |
| WO-2008091555-A2 | NUCLEAR RECEPTOR BINDING AGENTS | GTX, INC. (US) | 2008-07-31 | — | — | WO | disclosed |