Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.45 |
| ▸ | ABCB1 | P08183 | 6/20 | 0.42 |
| ▸ | SMPD1 | P17405 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HCN4 | Q9Y3Q4 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | DRD4 | P21917 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | EBP | Q15125 | 2/20 | 0.39 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9624105 | 0.98 | KDM4E (0.44) | KDM4ESMN1; SMN2PDE4BABCB1SMPD1 | |
| Hydrochloric Acid SCHEMBL9624109 | 0.98 | KDM4E (0.44) | KDM4ESMN1; SMN2PDE4BABCB1SMPD1 | |
| SCHEMBL9624683 | 0.92 | ABCB1 (0.55) | PDE4BABCB1DRD4DRD3 | |
| SCHEMBL9624235 | 0.86 | SIGMAR1 (0.40) | CYP3A4SIGMAR1CYP1A2 | |
| Hydrochloric Acid SCHEMBL9624770 | 0.85 | SIGMAR1 (0.39) | CYP3A4SIGMAR1CYP1A2 | |
| SCHEMBL10670903 | 0.83 | MAPT (0.54) | KDM4ESMN1; SMN2PDE4BABCB1SMPD1 | |
| Hydrochloric Acid SCHEMBL10671246 | 0.82 | CYP3A4 (0.55) | KDM4ESMN1; SMN2PDE4BABCB1SMPD1 | |
| SCHEMBL9624542 | 0.81 | SMPD1 (0.46) | KDM4ESMN1; SMN2ABCB1SMPD1MAPT | |
| SCHEMBL9624772 | 0.81 | HCN4 (0.48) | KDM4ESMN1; SMN2ABCB1SMPD1MAPT | |
| SCHEMBL9624977 | 0.80 | ABCB1 (0.54) | ABCB1SIGMAR1TMEM97 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5116986-A | HETEROAROMATIC AMINE DERIVATIVES | DR. KARL THOMAE GMBH (DE) | 1992-05-26 | — | — | US | disclosed |
| US-4912115-A | Cardiovascular disorders | DR. KARL THOMAE GMBH (DE) | 1990-03-27 | — | — | US | disclosed |
| EP-0269968-A2 | Heteroaromatic amine derivatives, medicaments containing them and process for their preparation | Dr. Karl Thomae GmbH (DE) | 1988-06-08 | — | — | EP | disclosed |