Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 1/20 | 0.51 |
| ▸ | MME | P08473 | 1/20 | 0.49 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.48 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.48 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.47 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.47 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.44 |
| ▸ | ANPEP | P15144 | 3/20 | 0.42 |
| ▸ | CTSK | P43235 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CTSH | P09668 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CTSC | P53634 | 1/20 | 0.41 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.40 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.40 |
| ▸ | AR | P10275 | 1/20 | 0.39 |
| ▸ | MYC | P01106 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7177998 | 0.93 | MME (0.52) | PTPN1MMEITGB1ITGA4FFAR1 | |
| Hydrochloric Acid SCHEMBL5262181 | 0.92 | MME (0.51) | PTPN1MMEITGB1ITGA4FFAR1 | |
| Hydrochloric Acid SCHEMBL5262184 | 0.92 | MME (0.51) | PTPN1MMEITGB1ITGA4FFAR1 | |
| Hydrochloric Acid SCHEMBL6640011 | 0.90 | MME (0.45) | PTPN1MMEITGB1ITGA4FFAR1 | |
| SCHEMBL5164414 | 0.81 | SLC7A5 (0.57) | PTPN1MMEITGB1ITGA4FFAR1 | |
| SCHEMBL5164419 | 0.81 | SLC7A5 (0.57) | PTPN1MMEITGB1ITGA4FFAR1 | |
| Phenylalanine Methyl Ester SCHEMBL28593408 | 0.81 | SLC7A5 (0.54) | PTPN1ANPEP | |
| SCHEMBL16940429 | 0.78 | PPARG (0.51) | MMECYP3A4DPP4 | |
| SCHEMBL539325 | 0.77 | SRR (0.54) | ANPEPCTSKCYP1A2CYP3A4CTSH | |
| SCHEMBL539324 | 0.77 | SRR (0.54) | ANPEPCTSKCYP1A2CYP3A4CTSH |
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-7115768-B2 | Multicyclic compounds which inhibit leukocyte adhesion mediated by VLA-4 | ELAN PHARMACEUTICALS, INC. (US) | 2006-10-03 | — | — | US | disclosed |
| US-20060074110-A1 | Multicyclic compounds which inhibit leukocyte adhesion mediated by VLA-4 | ELAN PHARMACEUTICALS, INC. | 2006-04-06 | — | — | US | disclosed |
| EP-1144364-B1 | MULTICYCLIC COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | ELAN PHARM INC (US) | 2005-07-13 | — | — | EP | disclosed |
| US-20030134874-A1 | Multicyclic compounds which inhibit leukocyte adhesion mediated by VLA-4 | GRANT FRANCINE S (US) | 2003-07-17 | — | — | US | disclosed |
| US-6465513-B1 | SUCH AS N-(ADAMANT-1-YLCARBONYL)-L-4-(N,N-DIMETHYLCARBAMYL-OXY)PHENYLALANINE; INFLAMMATORY DISEASES SUCH AS ASTHMA, AIDS DEMENTIA, ALZHEIMER'S DISEASE, ATHEROSCLEROSIS, DIABETES, INFLAMMATORY BOWEL DISEASE, RHEUMATOID ARTHRITIS | ELAN PHARMACEUTICALS, INC. | 2002-10-15 | — | — | US | disclosed |
| EP-1144364-A2 | MULTICYCLIC COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | Elan Pharmaceuticals, Inc. (US) | 2001-10-17 | — | — | EP | disclosed |
| WO-2000043354-A2 | MULTICYCLIC COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | ELAN PHARMACEUTICALS, INC. (US) | 2000-07-27 | — | — | 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-20030134874-A1 | Multicyclic compounds which inhibit leukocyte adhesion mediated by VLA-4 | VCAM1, ICAM1, CD4 | PTPN1 4768/4885MME 1231/4885ITGB1 53/4885 |
| US-20060074110-A1 | Multicyclic compounds which inhibit leukocyte adhesion mediated by VLA-4 | VCAM1, ICAM1, CD4 | PTPN1 4768/4885MME 1231/4885ITGB1 53/4885 |
“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.