Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.48 |
| ▸ | GAA | P10253 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | USP2 | O75604 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.43 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.43 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | CXCR1 | P25024 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL30717645 | 0.86 | USP2 (0.61) | ALDH1A1KMT2AGAAKDM4EUSP2 | |
| SCHEMBL9631971 | 0.82 | KMT2A (0.54) | ALDH1A1KMT2AGAAKDM4EMAPT | |
| SCHEMBL13239750 | 0.81 | LMNA (0.58) | ALDH1A1KMT2AGAAKDM4EUSP2 | |
| SCHEMBL13603359 | 0.81 | FFAR1 (0.50) | ALDH1A1GAAUSP2MAPTLMNA | |
| SCHEMBL29536561 | 0.81 | LMNA (0.58) | ALDH1A1KMT2AGAAKDM4EUSP2 | |
| SCHEMBL2226476 | 0.81 | HTR2C (0.44) | ALDH1A1KMT2AGAAKDM4EMAPT | |
| SCHEMBL18688117 | 0.79 | HTR2C (0.46) | ALDH1A1KMT2AGAAKDM4EUSP2 | |
| SCHEMBL9632944 | 0.79 | HTR2C (0.46) | ALDH1A1KMT2AGAAKDM4EUSP2 | |
| SCHEMBL15941407 | 0.79 | F9 (0.51) | ALDH1A1KMT2AGAAKDM4EUSP2 | |
| SCHEMBL5529143 | 0.79 | PKM (0.66) | ALDH1A1KMT2AGAAKDM4EUSP2 |
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 |