Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 10/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.51 |
| ▸ | TSHR | P16473 | 3/20 | 0.51 |
| ▸ | LMNA | P02545 | 3/20 | 0.51 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.51 |
| ▸ | HTR1A | P08908 | 3/20 | 0.51 |
| ▸ | HTR2C | P28335 | 3/20 | 0.51 |
| ▸ | CACNA1F | O60840 | 2/20 | 0.51 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.51 |
| ▸ | DRD2 | P14416 | 2/20 | 0.51 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.51 |
| ▸ | HTR2A | P28223 | 2/20 | 0.51 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.51 |
| ▸ | DRD3 | P35462 | 2/20 | 0.51 |
| ▸ | SCN1A | P35498 | 2/20 | 0.51 |
| ▸ | HTR2B | P41595 | 2/20 | 0.51 |
| ▸ | CACNA1D | Q01668 | 2/20 | 0.51 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.51 |
| ▸ | CACNA1S | Q13698 | 2/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL7132572 | 0.86 | CYP3A4 (0.63) | ABCB1CYP3A4TSHRLMNAKCNH2 | |
| SCHEMBL7751300 | 0.86 | CYP3A4 (0.63) | ABCB1CYP3A4TSHRLMNAKCNH2 | |
| SCHEMBL10709109 | 0.81 | ABCB1 (0.55) | ABCB1CYP3A4TSHRLMNAKCNH2 | |
| SCHEMBL19539141 | 0.80 | ABCB1 (0.60) | ABCB1CYP3A4TSHRLMNAKCNH2 | |
| SCHEMBL7267395 | 0.79 | ABCB1 (0.59) | ABCB1CYP3A4TSHRLMNAKCNH2 | |
| SCHEMBL9037850 | 0.79 | ABCB1 (0.59) | ABCB1CYP3A4TSHRLMNAKCNH2 | |
| SCHEMBL7266275 | 0.79 | ABCB1 (0.59) | ABCB1CYP3A4TSHRLMNAKCNH2 | |
| SCHEMBL7123218 | 0.79 | NPC1 (0.45) | ABCB1CYP3A4TSHRLMNAKCNH2 | |
| SCHEMBL11659004 | 0.79 | ABCB1 (0.51) | ABCB1CYP3A4TSHRLMNAKCNH2 | |
| SCHEMBL10711175 | 0.77 | ABCB1 (0.52) | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6667412-B1 | Carboxylic acid, ester or alcohol derivatives; n,n-substi-tuted cyclic amine or phenylacetonitrile intermediates; low cost; stability, workability, final product purity | EISAI CO., LTD. (JP) | 2003-12-23 | — | — | US | claimed |
| EP-1167348-A1 | NITRILE DERIVATIVES | Eisai Co., Ltd. (JP) | 2002-01-02 | — | — | EP | claimed |
| US-6667412-B1 | Carboxylic acid, ester or alcohol derivatives; n,n-substi-tuted cyclic amine or phenylacetonitrile intermediates; low cost; stability, workability, final product purity | EISAI CO., LTD. (JP) | 2003-12-23 | — | — | US | disclosed |
| EP-1167348-A1 | NITRILE DERIVATIVES | Eisai Co., Ltd. (JP) | 2002-01-02 | — | — | EP | disclosed |