Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.39 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.38 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.38 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 4/20 | 0.37 |
| ▸ | CA2 | P00918 | 4/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3002527 | 0.82 | CYP3A4 (0.46) | CYP3A4MAPTABCB1CYP3A5CYP2C9 | |
| SCHEMBL5756895 | 0.80 | EBP (0.39) | CYP3A4MAPTABCB1CYP3A5CYP2C9 | |
| SCHEMBL5754384 | 0.79 | EBP (0.38) | CYP3A4MAPTABCB1CYP3A5CYP2C9 | |
| SCHEMBL5755590 | 0.79 | EBP (0.38) | CYP3A4MAPTABCB1CYP3A5CYP2C9 | |
| SCHEMBL7310593 | 0.78 | EBP (0.51) | CYP3A4MAPTABCB1CYP3A5CYP2C9 | |
| SCHEMBL1640444 | 0.76 | CYP3A4 (0.65) | CYP3A4MAPTABCB1CYP3A5CYP2C9 | |
| SCHEMBL12727542 | 0.73 | CYP3A4 (0.39) | CYP3A4MAPTABCB1CYP3A5CYP2C9 | |
| SCHEMBL5754191 | 0.73 | CYP3A4 (0.40) | CYP3A4MAPTALDH1A1ABCB1CYP3A5 | |
| SCHEMBL10709109 | 0.72 | ABCB1 (0.55) | CYP3A4MAPTABCB1CYP3A5CYP2C9 | |
| SCHEMBL3011964 | 0.72 | CA12 (0.42) | CYP3A4MAPTALDH1A1ABCB1CYP3A5 |
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 |