Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 6/20 | 0.40 |
| ▸ | ABCB1 | P08183 | 8/20 | 0.38 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.38 |
| ▸ | ABCC1 | P33527 | 4/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.35 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.35 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5755590 | 0.85 | EBP (0.38) | CYP3A4ABCB1CYP3A5ABCC1KCNH2 | |
| SCHEMBL5756895 | 0.80 | EBP (0.39) | CYP3A4ABCB1CYP3A5ABCC1KCNH2 | |
| SCHEMBL7121340 | 0.80 | CYP3A4 (0.39) | CYP3A4ABCB1CYP3A5ABCC1KCNH2 | |
| SCHEMBL12727542 | 0.79 | CYP3A4 (0.39) | CYP3A4ABCB1CYP3A5ABCC1KCNH2 | |
| SCHEMBL1640444 | 0.79 | CYP3A4 (0.65) | CYP3A4ABCB1CYP3A5ABCC1KCNH2 | |
| SCHEMBL5754384 | 0.79 | EBP (0.38) | CYP3A4ABCB1CYP3A5ABCC1KCNH2 | |
| SCHEMBL7310593 | 0.79 | EBP (0.51) | CYP3A4ABCB1CYP3A5ABCC1KCNH2 | |
| SCHEMBL5752959 | 0.79 | EBP (0.51) | CYP3A4ABCB1CYP3A5ABCC1KCNH2 | |
| SCHEMBL7308677 | 0.78 | ABCB1 (0.40) | CYP3A4ABCB1CYP3A5ABCC1KCNH2 | |
| SCHEMBL5751378 | 0.77 | EBP (0.38) | CYP3A4ABCB1CYP3A5ABCC1KCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1099692-B1 | N,N-SUBSTITUTED CYCLIC AMINE DERIVATIVES | EISAI CO LTD (JP) | 2006-05-03 | — | — | EP | disclosed |
| US-6737425-B1 | SUCH AS 1-((4-CYANO-5-METHYL-4-PHENYL)HEXYL)-4-(2-(4-FLUORO -PHENOXY)ETHYL)PIPERAZINE; NERVE SELECTIVE CALCIUM ANTAGONISTS | EISAI CO., LTD. (JP) | 2004-05-18 | — | — | US | disclosed |
| EP-1099692-A1 | N,N-SUBSTITUTED CYCLIC AMINE DERIVATIVES | Eisai Co., Ltd. (JP) | 2001-05-16 | — | — | EP | disclosed |