Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BTK | Q06187 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.40 |
| ▸ | CCR2 | P41597 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | MMP2 | P08253 | 1/20 | 0.36 |
| ▸ | ANPEP | P15144 | 1/20 | 0.36 |
| ▸ | HTRA1 | Q92743 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.34 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4311050 | 1.00 | BTK (0.48) | BTKHSD17B10SMN1; SMN2EPHX1CCR2 | |
| SCHEMBL4311057 | 1.00 | BTK (0.48) | BTKHSD17B10SMN1; SMN2EPHX1CCR2 | |
| SCHEMBL3382254 | 0.90 | CCR2 (0.39) | BTKHSD17B10SMN1; SMN2EPHX1CCR2 | |
| SCHEMBL5133170 | 0.90 | CCR2 (0.39) | BTKHSD17B10SMN1; SMN2EPHX1CCR2 | |
| SCHEMBL3382246 | 0.90 | CCR2 (0.39) | BTKHSD17B10SMN1; SMN2EPHX1CCR2 | |
| SCHEMBL5133167 | 0.90 | CCR2 (0.39) | BTKHSD17B10SMN1; SMN2EPHX1CCR2 | |
| SCHEMBL4303999 | 0.88 | ALDH1A1 (0.43) | BTKHSD17B10SMN1; SMN2EPHX1CCR2 | |
| SCHEMBL4304000 | 0.88 | ALDH1A1 (0.43) | BTKHSD17B10SMN1; SMN2EPHX1CCR2 | |
| SCHEMBL3383512 | 0.87 | CCR2 (0.44) | BTKHSD17B10SMN1; SMN2EPHX1CCR2 | |
| SCHEMBL3384307 | 0.87 | CCR2 (0.44) | BTKHSD17B10SMN1; SMN2EPHX1CCR2 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7514409-B2 | VLA-4 antagonists | MERCK & CO., INC. (US) | 2009-04-07 | — | — | US | disclosed |
| US-20090069376-A1 | VLA-4 Antagonists | MERCK SHARP & DOHME CORP. | 2009-03-12 | — | — | US | disclosed |
| EP-1874299-A2 | VLA-4 ANTAGONISTS | Merck & Co., Inc. (US) | 2008-01-09 | — | — | EP | disclosed |
| US-20070179190-A1 | Vla-4 antagonists | MERCK & CO., INC. (US) | 2007-08-02 | — | — | US | disclosed |
| EP-1725542-A1 | VLA-4 ANTAGONISTS | Merck & Co., Inc. (US) | 2006-11-29 | — | — | EP | disclosed |
| WO-2006115918-A2 | VLA-4 ANTAGONISTS | MERCK & CO., INC. (US) | 2006-11-02 | — | — | WO | disclosed |
| WO-2005087760-A1 | VLA-4 ANTAGONISTS | MERCK & CO., INC. (US) | 2005-09-22 | — | — | 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 (2 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-20070179190-A1 | Vla-4 antagonists | VCAM1, ITGA4, ITGB4 | BTK 2141/4885HSD17B10 3518/4885SMN1; SMN2 2744/4885 |
| US-20090069376-A1 | VLA-4 Antagonists | VCAM1, SELPLG, ITGB4 | BTK 400/4885HSD17B10 4654/4885SMN1; SMN2 2019/4885 |
“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.