Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCN4 | Q9Y3Q4 | 3/20 | 0.69 |
| ▸ | MAPT | P10636 | 3/20 | 0.69 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.68 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.68 |
| ▸ | DRD3 | P35462 | 2/20 | 0.58 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.58 |
| ▸ | HTR1A | P08908 | 1/20 | 0.58 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.58 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.58 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.40 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.39 |
| ▸ | SMPD1 | P17405 | 2/20 | 0.39 |
| ▸ | DRD4 | P21917 | 2/20 | 0.39 |
| ▸ | DRD1 | P21728 | 1/20 | 0.39 |
| ▸ | DRD5 | P21918 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL10667392 | 0.96 | HCN4 (0.67) | HCN4MAPTCYP3A4ALOX15DRD3 | |
| SCHEMBL10597928 | 0.84 | HCN4 (0.81) | HCN4MAPTCYP3A4ALOX15DRD3 | |
| SCHEMBL10662874 | 0.84 | HCN4 (0.66) | HCN4MAPTCYP3A4ALOX15DRD3 | |
| SCHEMBL10667773 | 0.83 | HCN4 (0.65) | HCN4MAPTCYP3A4ALOX15DRD3 | |
| Hydrochloric Acid SCHEMBL10599710 | 0.83 | CYP3A4 (0.81) | HCN4MAPTCYP3A4ALOX15DRD3 | |
| SCHEMBL10664955 | 0.83 | HCN4 (0.69) | HCN4MAPTCYP3A4ALOX15DRD3 | |
| Hydrochloric Acid SCHEMBL10667543 | 0.83 | CYP3A4 (0.66) | HCN4MAPTCYP3A4ALOX15DRD3 | |
| Hydrochloric Acid SCHEMBL10668885 | 0.83 | CYP3A4 (0.66) | HCN4MAPTCYP3A4ALOX15DRD3 | |
| SCHEMBL9624764 | 0.82 | HCN4 (0.46) | HCN4MAPTCYP3A4ALOX15DRD3 | |
| Zatebradine SCHEMBL295751 | 0.82 | HCN4 (1.00) | HCN4MAPTCYP3A4ALOX15DRD3 |
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-4737495-A | ANTIALLERGENS, ANTISCHEMIC, HYPOTENSIVE AGENTS | DR. KARL TOMAE, GMBH (DE) | 1988-04-12 | — | — | US | disclosed |
| EP-0204349-A2 | Heteroaromatic amine derivatives, medicaments containing them and process for their preparation | Dr. Karl Thomae GmbH (DE) | 1986-12-10 | — | — | EP | disclosed |