Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CFD | P00746 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.50 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | ESR1 | P03372 | 1/20 | 0.50 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.50 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.50 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.50 |
| ▸ | GGT1 | P19440 | 1/20 | 0.50 |
| ▸ | BLM | P54132 | 1/20 | 0.50 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL1162085 | 0.87 | CFD (0.69) | CFDKDM4EALDH1A1HSD17B10TSHR | |
| SCHEMBL1162227 | 0.86 | CFD (0.49) | CFDKDM4EALDH1A1HSD17B10TSHR | |
| SCHEMBL43492 | 0.83 | PIN1 (0.49) | KDM4EALDH1A1HSD17B10HTTSMN1; SMN2 | |
| SCHEMBL28383775 | 0.83 | ALDH1A1 (0.49) | CFDKDM4EALDH1A1HSD17B10TSHR | |
| SCHEMBL5755257 | 0.82 | TSHR (0.58) | CFDKDM4EALDH1A1HSD17B10TSHR | |
| SCHEMBL5756842 | 0.82 | ALDH1A1 (0.44) | ALDH1A1TSHRHTTSMN1; SMN2KMT2A | |
| SCHEMBL823700 | 0.81 | CYP4F2 (0.50) | CFDKDM4EALDH1A1HSD17B10TSHR | |
| SCHEMBL22950969 | 0.79 | KDM4E (0.61) | CFDKDM4EALDH1A1HSD17B10TSHR | |
| SCHEMBL195552 | 0.79 | KMT2A (0.60) | CFDKDM4EALDH1A1HSD17B10TSHR | |
| SCHEMBL789388 | 0.79 | PTGDR2 (0.63) | CFDKDM4EALDH1A1HSD17B10TSHR |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102015641-B | Heterocyclic compound | TAKEDA PHARMACEUTICAL | 2014-01-01 | — | — | CN | disclosed |
| CN-102015641-A | Heterocyclic compound | TAKEDA PHARMACEUTICAL | 2011-04-13 | — | — | CN | disclosed |
| 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 |