Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PSEN1 | P49768 | 1/20 | 0.39 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.39 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.39 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.39 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.39 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 2/20 | 0.36 |
| ▸ | HTR2C | P28335 | 2/20 | 0.36 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.35 |
| ▸ | MMP1 | P03956 | 1/20 | 0.35 |
| ▸ | MMP2 | P08253 | 1/20 | 0.35 |
| ▸ | MMP3 | P08254 | 1/20 | 0.35 |
| ▸ | MMP9 | P14780 | 1/20 | 0.35 |
| ▸ | MMP12 | P39900 | 1/20 | 0.35 |
| ▸ | MMP13 | P45452 | 1/20 | 0.35 |
| ▸ | MMP14 | P50281 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | PTGES2 | Q9H7Z7 | 2/20 | 0.34 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3948236 | 0.85 | PSEN1 (0.41) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL5957559 | 0.79 | CNR2 (0.40) | AKR1B1PTGES2KMT2ATSHRMAPK1 | |
| SCHEMBL8978666 | 0.79 | KDM4E (0.40) | KDM4EPTGDR2KMT2ATSHRMAPK1 | |
| SCHEMBL4118278 | 0.79 | KDM4E (0.44) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL9820115 | 0.78 | TAAR1 (0.36) | PTGES2KMT2A | |
| SCHEMBL31356938 | 0.77 | CYP2D6 (0.46) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL31356939 | 0.77 | PSEN1 (0.38) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL4436410 | 0.77 | CYP2D6 (0.46) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL4437847 | 0.77 | PSEN1 (0.38) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL31356935 | 0.75 | CYP2D6 (0.46) | PSEN1PSEN2APH1BNCSTNAPH1A |
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 2 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 |