Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACLY | P53396 | 5/20 | 0.68 |
| ▸ | HTR2A | P28223 | 1/20 | 0.51 |
| ▸ | HTR2C | P28335 | 1/20 | 0.51 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | BCL2 | P10415 | 1/20 | 0.50 |
| ▸ | MMP1 | P03956 | 1/20 | 0.48 |
| ▸ | MMP2 | P08253 | 1/20 | 0.48 |
| ▸ | MMP9 | P14780 | 1/20 | 0.48 |
| ▸ | MMP8 | P22894 | 1/20 | 0.48 |
| ▸ | MMP13 | P45452 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL21930897 | 0.81 | ACLY (1.00) | ACLYHTTBCL2MMP1MMP2 | |
| SCHEMBL185092 | 0.79 | ACLY (0.69) | ACLYBCL2MMP1MMP2MMP9 | |
| SCHEMBL11740334 | 0.78 | ACLY (0.48) | ACLYBCL2MMP1MMP2MMP9 | |
| SCHEMBL5012972 | 0.78 | HTR2A (0.53) | ACLYHTR2AHTR2CSLC6A4HTT | |
| SCHEMBL11735408 | 0.78 | ACLY (0.59) | ACLYBCL2 | |
| SCHEMBL254992 | 0.77 | BCL2 (0.72) | ACLYBCL2MMP1MMP2MMP9 | |
| SCHEMBL184479 | 0.77 | BCL2 (0.67) | ACLYBCL2MMP1MMP2MMP9 | |
| SCHEMBL184644 | 0.77 | ACLY (0.59) | ACLYBCL2MMP1MMP2MMP9 | |
| SCHEMBL15157371 | 0.76 | BCL2 (0.68) | ACLYBCL2MMP1MMP2MMP9 | |
| SCHEMBL184463 | 0.76 | ACLY (0.71) | ACLYBCL2MMP1MMP2MMP9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2415760-A2 | CCR-9 antagonists | ENCYSIVE PHARMACEUTICALS, INC. (US) | 2012-02-08 | — | — | EP | disclosed |
| WO-2008093919-A1 | USE OF N-BENZYL-N-(2-DIMETHYLAMINO-ETHYL)BENZENESULFONAMIDE DERIVATIVES FOR TREATING CENTRAL NERVOUS SYSTEM DISORDERS | DONGBU HITEK CO., LTD. (KR) | 2008-08-07 | — | — | WO | disclosed |
| US-7319111-B2 | Phenylenediamine Urotensin-II receptor antagonists and CCR-9 antagonists | ENCYSIVE PHARMACEUTICALS, INC. (US) | 2008-01-15 | — | — | US | disclosed |
| US-7319111-B2 | Phenylenediamine Urotensin-II receptor antagonists and CCR-9 antagonists | ENCYSIVE PHARMACEUTICALS, INC. (US) | 2008-01-15 | — | — | US | disclosed |
| US-7319111-B2 | Phenylenediamine Urotensin-II receptor antagonists and CCR-9 antagonists | ENCYSIVE PHARMACEUTICALS, INC. (US) | 2008-01-15 | — | — | US | disclosed |