Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.41 |
| ▸ | DRD4 | P21917 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | HPGD | P15428 | 3/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | XBP1 | P17861 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | GFER | P55789 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7685123 | 0.83 | HSP90AA1 (0.41) | HSP90AA1HSP90AB1ALDH1A1NPC1MAPT | |
| SCHEMBL7685559 | 0.81 | HSP90AA1 (0.61) | HSP90AA1HSP90AB1ALDH1A1SMN1; SMN2HPGD | |
| SCHEMBL7689622 | 0.77 | HSP90AA1 (0.41) | HSP90AA1HSP90AB1ALDH1A1SMN1; SMN2HPGD | |
| SCHEMBL7690465 | 0.77 | TP53 (0.46) | HSP90AA1HSP90AB1ALDH1A1SMN1; SMN2HPGD | |
| SCHEMBL27523062 | 0.76 | CHRM4 (0.35) | DRD4ALDH1A1SMN1; SMN2HPGDTSHR | |
| Hydrochloric Acid SCHEMBL7683570 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL7683577 | 0.75 | — | — | |
| SCHEMBL6796888 | 0.72 | ALPL (0.41) | HSP90AA1HSP90AB1HPGDKMT2AMEN1 | |
| SCHEMBL15839566 | 0.71 | MAOA (0.36) | DRD4ALDH1A1SMN1; SMN2NPC1MAPT | |
| SCHEMBL15821824 | 0.69 | DRD4 (0.33) | DRD4ALDH1A1SMN1; SMN2HPGDNPC1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6350749-B1 | SODIUM CHANNEL MODULATORS, ANTIARRHYTHMIA AND HYPOTENSIVE AGENTS; CARDIOVASCULAR DISORDERS, ANGINA PECTORIS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2002-02-26 | — | — | US | disclosed |
| EP-1057812-A1 | AMINOGUANIDINE HYDRAZONE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND DRUGS THEREOF | Takeda Chemical Industries, Ltd. (JP) | 2000-12-06 | — | — | EP | disclosed |