Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCNT1 | O60563 | 1/20 | 0.40 |
| ▸ | CDK9 | P50750 | 1/20 | 0.40 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.37 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.36 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.36 |
| ▸ | CCR2 | P41597 | 4/20 | 0.36 |
| ▸ | P2RX3 | P56373 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.34 |
| ▸ | MMP2 | P08253 | 1/20 | 0.33 |
| ▸ | ANPEP | P15144 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4316868 | 1.00 | CCNT1 (0.40) | CCNT1CDK9AGTR2NR1H2NR1H3 | |
| SCHEMBL4315222 | 0.88 | HSD17B10 (0.39) | AGTR2CCR2P2RX3HSD17B10HSD11B1 | |
| SCHEMBL29524293 | 0.87 | CCNT1 (0.41) | CCNT1CDK9AGTR2NR1H2NR1H3 | |
| SCHEMBL6536648 | 0.87 | CCNT1 (0.41) | CCNT1CDK9AGTR2NR1H2NR1H3 | |
| SCHEMBL4309204 | 0.86 | CCNT1 (0.41) | CCNT1CDK9AGTR2NR1H2NR1H3 | |
| SCHEMBL29889444 | 0.86 | CCNT1 (0.41) | CCNT1CDK9AGTR2NR1H2NR1H3 | |
| SCHEMBL4309208 | 0.86 | CCNT1 (0.41) | CCNT1CDK9AGTR2NR1H2NR1H3 | |
| SCHEMBL21950735 | 0.81 | CCNT1 (0.41) | CCNT1CDK9AGTR2NR1H2NR1H3 | |
| SCHEMBL14915300 | 0.79 | USP2 (0.44) | CCNT1CDK9AGTR2NR1H2NR1H3 | |
| SCHEMBL15397259 | 0.79 | USP2 (0.44) | CCNT1CDK9AGTR2NR1H2NR1H3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| WO-2006115918-A2 | VLA-4 ANTAGONISTS | MERCK & CO., INC. (US) | 2006-11-02 | — | — | 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-20090069376-A1 | VLA-4 Antagonists | VCAM1, SELPLG, ITGB4 | CCNT1 3334/4885CDK9 2231/4885AGTR2 999/4885 |
“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.