Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.41 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.41 |
| ▸ | CFD | P00746 | 2/20 | 0.41 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.40 |
| ▸ | BLM | P54132 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | TNFSF11 | O14788 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.40 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.40 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.40 |
| ▸ | GGT1 | P19440 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5755257 | 0.87 | TSHR (0.58) | KDM4EALDH1A1TSHRGAARAB9A | |
| SCHEMBL5740669 | 0.82 | CES2 (0.42) | RAB9AHPGDMAPTKMT2AL3MBTL1 | |
| SCHEMBL27674522 | 0.81 | CA3 (0.41) | GAACA9CYP2C19 | |
| SCHEMBL6649289 | 0.81 | FFAR1 (0.44) | KDM4EALDH1A1TSHRRAB9AHPGD | |
| SCHEMBL27692981 | 0.79 | NPC1 (0.42) | KDM4EALDH1A1RAB9AHPGDPOLB | |
| SCHEMBL5756842 | 0.79 | ALDH1A1 (0.44) | ALDH1A1TSHRGAAKMT2A | |
| SCHEMBL2908009 | 0.79 | TSHR (0.62) | KDM4EALDH1A1TSHRGAARAB9A | |
| SCHEMBL823700 | 0.78 | CYP4F2 (0.50) | KDM4EALDH1A1TSHRGAARAB9A | |
| SCHEMBL1991907 | 0.78 | CYP4F2 (0.64) | KDM4EALDH1A1TSHRGAARAB9A | |
| SCHEMBL11355453 | 0.78 | ALDH1A1 (0.40) | KDM4EALDH1A1GAAMAPTKMT2A |
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 |