Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | GRM8 | O00222 | 1/20 | 0.48 |
| ▸ | GRM6 | O15303 | 1/20 | 0.48 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | CES1 | P23141 | 2/20 | 0.44 |
| ▸ | CNR1 | P21554 | 1/20 | 0.43 |
| ▸ | CNR2 | P34972 | 1/20 | 0.43 |
| ▸ | CES2 | O00748 | 1/20 | 0.43 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.43 |
| ▸ | FNTA | P49354 | 1/20 | 0.43 |
| ▸ | FNTB | P49356 | 1/20 | 0.43 |
| ▸ | MMP2 | P08253 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL5720945 | 1.00 | ALDH1A1 (0.49) | ALDH1A1GRM8GRM6GRM4TDP1 | |
| SCHEMBL2452348 | 1.00 | ALDH1A1 (0.49) | ALDH1A1GRM8GRM6GRM4TDP1 | |
| SCHEMBL6474872 | 0.84 | KMT2A (0.56) | ALDH1A1TDP1KMT2AMEN1NPC1 | |
| SCHEMBL1857061 | 0.82 | FNTA (0.58) | ALDH1A1TDP1KMT2AMEN1TSHR | |
| SCHEMBL3859569 | 0.81 | KMO (0.55) | GRM8GRM6GRM4KMT2AMEN1 | |
| SCHEMBL666885 | 0.81 | KMO (0.55) | GRM8GRM6GRM4KMT2AMEN1 | |
| SCHEMBL19833069 | 0.81 | NPC1 (0.48) | ALDH1A1GRM8GRM6GRM4TDP1 | |
| SCHEMBL4833185 | 0.81 | NPC1 (0.48) | ALDH1A1KMT2AMEN1NPC1MAPT | |
| SCHEMBL18133735 | 0.81 | NPC1 (0.48) | ALDH1A1GRM8GRM6GRM4TDP1 | |
| SCHEMBL3310878 | 0.81 | KMO (0.55) | GRM8GRM6GRM4KMT2AMEN1 |
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-20030162799-A1 | Carbocyclic oxo, carboxy amines such as 3-(4-(3,5-Dichloro-4-pyridylcarboxamido)phenyl)-2-(2-propylamino-3,4 -dioxocyclobut-1-enyl)amino)propanoic acid, used as integrin antagonists; antiinflammatory agents | CELLTECH R&D LIMITED (GB) | 2003-08-28 | — | — | US | disclosed |
| US-6518283-B1 | To modify integrin function in such a way as to beneficially modulate cell adhesion | CELLTECH R&D LIMITED (GB) | 2003-02-11 | — | — | US | disclosed |
| EP-1181266-A1 | SQUARIC ACID DERIVATIVES AS CELL ADHESION MOLECULES | Celltech R&D Limited (GB) | 2002-02-27 | — | — | EP | disclosed |
| WO-2000073260-A1 | SQUARIC ACID DERIVATIVES AS CELL ADHESION MOLECULES | CELLTECH R&D LIMITED (GB) | 2000-12-07 | — | — | 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-20030162799-A1 | Carbocyclic oxo, carboxy amines such as 3-(4-(3,5-Dichloro-4-pyridylcarboxamido)phenyl)-2-(2-propylamino-3,4 -dioxocyclobut-1-enyl)amino)propanoic acid, used as integrin antagonists; antiinflammatory agents | ICAM1, VCAM1, CCR1 | ALDH1A1 287/4885GRM8 3152/4885GRM6 650/4885 |
“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.