Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR1 | O14842 | 1/20 | 0.44 |
| ▸ | DHODH | Q02127 | 2/20 | 0.44 |
| ▸ | DPP4 | P27487 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.43 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.43 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.43 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.43 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.43 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.43 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.42 |
| ▸ | TPH1 | P17752 | 1/20 | 0.42 |
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.41 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.41 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL20546345 | 0.85 | KMT2A (0.52) | FFAR1KMT2ASMN1; SMN2 | |
| SCHEMBL20546348 | 0.85 | KMT2A (0.52) | FFAR1KMT2ASMN1; SMN2 | |
| SCHEMBL13802832 | 0.83 | KDM4E (0.43) | DPP4S1PR3CYP1A2CYP2D6CYP19A1 | |
| SCHEMBL1310193 | 0.81 | FFAR1 (0.56) | FFAR1KMT2ASMN1; SMN2TPH1 | |
| SCHEMBL20545703 | 0.81 | FFAR1 (0.56) | FFAR1KMT2ASMN1; SMN2TPH1 | |
| Hydrochloric Acid SCHEMBL6949714 | 0.79 | FFAR1 (0.54) | FFAR1KMT2ASMN1; SMN2TPH1 | |
| SCHEMBL288753 | 0.77 | GABBR2 (0.59) | DPP4KMT2ASMN1; SMN2CYP2D6CYP2C19 | |
| SCHEMBL123765 | 0.77 | GABBR2 (0.59) | DPP4KMT2ASMN1; SMN2CYP2D6CYP2C19 | |
| SCHEMBL59840 | 0.77 | GABBR2 (0.59) | DPP4KMT2ASMN1; SMN2CYP2D6CYP2C19 | |
| Malic Acid SCHEMBL28405670 | 0.76 | PTPRA (0.51) | FFAR1DHODHKMT2ASMN1; SMN2MEN1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6645939-B1 | Very late antigen-4 (VLA) integrin antagonists; antiallergens, antiasthmatics, and antiinflammatory agents; multiple sclerosis, autoimmune disease treatment | MERCK & CO., INC. | 2003-11-11 | — | — | US | disclosed |
| EP-1034164-A4 | SUBSTITUTED BETA-ALANINE DERIVATIVES AS CELL ADHESION INHIBITORS | MERCK & CO INC (US) | 2001-07-11 | — | — | EP | disclosed |
| EP-1034164-A1 | SUBSTITUTED BETA-ALANINE DERIVATIVES AS CELL ADHESION INHIBITORS | Merck & Co., Inc. (US) | 2000-09-13 | — | — | EP | disclosed |
| WO-1999026921-A1 | SUBSTITUTED β-ALANINE DERIVATIVES AS CELL ADHESION INHIBITORS | MERCK & CO., INC. (US) | 1999-06-03 | — | — | WO | disclosed |