Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NISCH | Q9Y2I1 | 13/20 | 0.71 |
| ▸ | MAOA | P21397 | 3/20 | 0.71 |
| ▸ | MAOB | P27338 | 3/20 | 0.71 |
| ▸ | HTR1A | P08908 | 6/20 | 0.51 |
| ▸ | ADRA2A | P08913 | 6/20 | 0.51 |
| ▸ | ADRA2B | P18089 | 6/20 | 0.51 |
| ▸ | ADRA2C | P18825 | 6/20 | 0.51 |
| ▸ | ADRA1A | P35348 | 4/20 | 0.49 |
| ▸ | ADRA1D | P25100 | 3/20 | 0.49 |
| ▸ | ADRA1B | P35368 | 3/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | THRB | P10828 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | THPO | P40225 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL3168948 | 0.85 | NISCH (0.73) | NISCHMAOAMAOBHTR1AADRA2A | |
| SCHEMBL3172922 | 0.83 | NISCH (0.71) | NISCHMAOAMAOBHTR1AADRA2A | |
| SCHEMBL546875 | 0.83 | NISCH (1.00) | NISCHMAOAMAOBHTR1AADRA2A | |
| Hydrochloric Acid SCHEMBL11251146 | 0.82 | NISCH (0.69) | NISCHMAOAMAOBHTR1AADRA2A | |
| SCHEMBL11255453 | 0.82 | NISCH (0.69) | NISCHMAOAMAOBHTR1AADRA2A | |
| Hydrochloric Acid SCHEMBL11259967 | 0.81 | NISCH (0.97) | NISCHMAOAMAOBHTR1AADRA2A | |
| SCHEMBL3168475 | 0.81 | NISCH (0.82) | NISCHMAOAMAOBHTR1AADRA2A | |
| SCHEMBL3176723 | 0.78 | NISCH (0.77) | NISCHMAOAMAOBHTR1AADRA2A | |
| SCHEMBL3173185 | 0.78 | NISCH (0.77) | NISCHMAOAMAOBHTR1AADRA2A | |
| Hydrochloric Acid SCHEMBL11541553 | 0.78 | NISCH (0.63) | NISCHMAOAMAOBHTR1AADRA2A |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040006093-A1 | Compounds which inhibit leukocyte adhesion mediated by VLA-4 | BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) | 2004-01-08 | — | — | US | claimed |
| US-6583139-B1 | Treatment of inflammatory diseases; inflammatory brain diseases such as multiple sclerosis; N-(Toluene-4-sulfonyl)-L-prolyl-4-(alpha -methylbenzyloxy)-L-phenylalanine; Very Late Antigen 4 | BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) | 2003-06-24 | — | — | US | claimed |
| EP-0994896-A1 | SULFONYLATED DIPEPTIDE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | Elan Pharmaceuticals, Inc. (US) | 2000-04-26 | — | — | EP | claimed |
| WO-1999006437-A1 | SULFONYLATED DIPEPTIDE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | ELAN PHARMACEUTICALS INC. (US) | 1999-02-11 | — | — | WO | claimed |
| US-20040006093-A1 | Compounds which inhibit leukocyte adhesion mediated by VLA-4 | BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) | 2004-01-08 | — | — | US | disclosed |
| US-6583139-B1 | Treatment of inflammatory diseases; inflammatory brain diseases such as multiple sclerosis; N-(Toluene-4-sulfonyl)-L-prolyl-4-(alpha -methylbenzyloxy)-L-phenylalanine; Very Late Antigen 4 | BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) | 2003-06-24 | — | — | US | disclosed |
| EP-0994896-A1 | SULFONYLATED DIPEPTIDE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | Elan Pharmaceuticals, Inc. (US) | 2000-04-26 | — | — | EP | disclosed |
| WO-1999006437-A1 | SULFONYLATED DIPEPTIDE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | ELAN PHARMACEUTICALS INC. (US) | 1999-02-11 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20040006093-A1 | Compounds which inhibit leukocyte adhesion mediated by VLA-4 | VCAM1, ICAM1, CD4 | NISCH 3878/4885MAOA 1076/4885MAOB 2115/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.