Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 10/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.52 |
| ▸ | TSHR | P16473 | 3/20 | 0.52 |
| ▸ | LMNA | P02545 | 3/20 | 0.52 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.52 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.52 |
| ▸ | CACNA1F | O60840 | 2/20 | 0.52 |
| ▸ | HTR1A | P08908 | 2/20 | 0.52 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.52 |
| ▸ | DRD2 | P14416 | 2/20 | 0.52 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.52 |
| ▸ | HTR2A | P28223 | 2/20 | 0.52 |
| ▸ | HTR2C | P28335 | 2/20 | 0.52 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.52 |
| ▸ | DRD3 | P35462 | 2/20 | 0.52 |
| ▸ | SCN1A | P35498 | 2/20 | 0.52 |
| ▸ | HTR2B | P41595 | 2/20 | 0.52 |
| ▸ | CACNA1D | Q01668 | 2/20 | 0.52 |
| ▸ | CACNA1S | Q13698 | 2/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL10711175 | 0.86 | ABCB1 (0.52) | ABCB1CYP3A4TSHRLMNAKCNH2 | |
| SCHEMBL1640444 | 0.86 | CYP3A4 (0.65) | ABCB1CYP3A4TSHRLMNAKCNH2 | |
| SCHEMBL9492214 | 0.84 | CYP3A4 (0.41) | ABCB1CYP3A4TSHRLMNAKCNH2 | |
| SCHEMBL19539141 | 0.81 | ABCB1 (0.60) | ABCB1CYP3A4TSHRLMNAKCNH2 | |
| SCHEMBL7121997 | 0.81 | ABCB1 (0.52) | ABCB1CYP3A4TSHRLMNAKCNH2 | |
| SCHEMBL9037850 | 0.80 | ABCB1 (0.59) | ABCB1CYP3A4TSHRLMNAKCNH2 | |
| SCHEMBL7267395 | 0.80 | ABCB1 (0.59) | ABCB1CYP3A4TSHRLMNAKCNH2 | |
| SCHEMBL7266275 | 0.80 | ABCB1 (0.59) | ABCB1CYP3A4TSHRLMNAKCNH2 | |
| SCHEMBL10744902 | 0.80 | PDE4D (0.38) | ABCB1CYP3A4TSHRLMNAKCNH2 | |
| SCHEMBL11659004 | 0.80 | ABCB1 (0.51) | ABCB1CYP3A4TSHRLMNAKCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0180810-B1 | NOVEL ALPHA-AMINOALKYL-ALPHA-ALKYLPHENYLACETONITRILES | Hokuriku Pharmaceutical Co.,Ltd (JP) | 1988-08-03 | — | — | EP | disclosed |
| US-4612329-A | CARDIOVASCULAR DISORDERS | HOKURIKU PHARMACEUTICAL CO., LTD. (JP) | 1986-09-16 | — | — | US | disclosed |
| EP-0180810-A1 | Novel alpha-aminoalkyl-alpha-alkylphenylacetonitriles | Hokuriku Pharmaceutical Co.,Ltd (JP) | 1986-05-14 | — | — | EP | disclosed |
| US-4350636-A | REDUCTIVE ALKYLATION OF A SECONDARY AMINE | BASF AKTIENGESELLSCHAFT (DE) | 1982-09-21 | — | — | US | disclosed |
| US-4115432-A | Method for making basically-substituted phenylacetonitriles | KNOLL AG. (DE) | 1978-09-19 | — | — | US | disclosed |