Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC7A5 | Q01650 | 3/20 | 0.44 |
| ▸ | DPP4 | P27487 | 2/20 | 0.44 |
| ▸ | MMP2 | P08253 | 1/20 | 0.40 |
| ▸ | LTA4H | P09960 | 1/20 | 0.39 |
| ▸ | ALPI | P09923 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | XIAP | P98170 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.38 |
| ▸ | GRB2 | P62993 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.38 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.38 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6367816 | 1.00 | SLC7A5 (0.44) | SLC7A5DPP4MMP2LTA4HALPI | |
| Hydrochloric Acid SCHEMBL7386240 | 0.98 | SLC7A5 (0.43) | SLC7A5DPP4MMP2LTA4HALPI | |
| Hydrochloric Acid SCHEMBL6367810 | 0.98 | SLC7A5 (0.43) | SLC7A5DPP4MMP2LTA4HALPI | |
| SCHEMBL630703 | 0.86 | SLC7A5 (0.57) | SLC7A5 | |
| SCHEMBL594571 | 0.86 | SLC7A5 (0.57) | SLC7A5 | |
| SCHEMBL3203564 | 0.86 | SLC7A5 (0.45) | SLC7A5DPP4LTA4HALPIPKM | |
| SCHEMBL17978113 | 0.86 | SLC7A5 (0.45) | SLC7A5DPP4LTA4HALPIPKM | |
| SCHEMBL6666822 | 0.86 | SLC7A5 (0.45) | SLC7A5DPP4LTA4HALPIPKM | |
| SCHEMBL17978114 | 0.86 | SLC7A5 (0.45) | SLC7A5DPP4LTA4HALPIPKM | |
| SCHEMBL7464405 | 0.86 | SLC7A5 (0.57) | SLC7A5 |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8309735-B2 | Heterocyclic compounds for the inhibition of integrins and use thereof | SHIRE ORPHAN THERAPIES GMBH (DE) | 2012-11-13 | — | — | US | disclosed |
| US-20090203745-A1 | HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF | JERINI AG (DE) | 2009-08-13 | — | — | US | disclosed |
| CN-101448818-A | New heterocyclic compounds for the inhibition of integrins and use thereof | JERINI AG (DE) | 2009-06-03 | — | — | CN | disclosed |
| EP-2024357-A2 | NEW HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF | Jereni AG (DE) | 2009-02-18 | — | — | EP | disclosed |
| WO-2007131764-A2 | NEW HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF | JERINI AG (DE) | 2007-11-22 | — | — | WO | disclosed |
| US-6420418-B1 | INHIBITION AND PREVENTION OF LEUKOCYTE ADHESION; USED TO TREAT ADHESION-MEDIATED DISEASES SUCH AS ASTHMA, ALLERGIC RHINITIS, MULTIPLE SCLEROSIS; ATHEROSCLEROSIS, AND INFLAMMATORY BOWEL DISEASE | MERCK & CO., INC. | 2002-07-16 | — | — | US | disclosed |
| US-6353099-B1 | USED FOR PREVENTION OR TREATMENT OF DISEASES, DISORDERS, CONDITIONS OR SYMPTOMS MEDIATED BY CELL ADHESION IN MAMMAL | MERCK & CO., INC. | 2002-03-05 | — | — | US | disclosed |
| WO-2001014328-A2 | SUBSTITUTED UREAS AS CELL ADHESION INHIBITORS | MERCK & CO., INC. (US) | 2001-03-01 | — | — | WO | disclosed |
| WO-2001012183-A1 | HETEROCYCLE AMIDES AS CELL ADHESION INHIBITORS | MERCK & CO., INC. (US) | 2001-02-22 | — | — | WO | disclosed |
| US-6191171-B1 | ANTAGONISTS, USEFUL IN INHIBITION OR PREVENTION OF CELL ADHESION AND CELL-ADHESION MEDIATED PATHOLOGIES; FOR DRUGS FOR TREATMENT OF ASTHMA, ALLERGIES, INFLAMMATION, MULTIPLE SCLEROSIS, AND OTHER INFLAMMATORY AND AUTOIMMUNE DISORDERS | MERCK & CO., INC. | 2001-02-20 | — | — | US | disclosed |
| US-6069163-A | SUBSTITUTED AZAPEPEPTIDE ACIDS ARE SUITABLE FOR USE IN THE TREATMENT OF ASTHMA, ALLERGIES, INFLAMMATION, MULTIPLE SCLEROSIS, AND OTHER INFLAMMATORY AND AUTOIMMUNE DISORDERS | MERCK & CO., INC. (US) | 2000-05-30 | — | — | US | disclosed |
| US-6020347-A | 4-substituted-4-piperidine carboxamide derivatives | MERCK & CO., INC. (US) | 2000-02-01 | — | — | US | disclosed |
| WO-1999025685-A1 | 4-SUBSTITUTED-4-PIPERIDINE CARBOXAMIDE DERIVATIVES | MERCK & CO., INC. (US) | 1999-05-27 | — | — | WO | disclosed |
| WO-1999020272-A1 | AZAPEPTIDE ACIDS AS CELL ADHESION INHIBITORS | MERCK & CO., INC. (US) | 1999-04-29 | — | — | 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-20090203745-A1 | HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF | ITGB1, ITGA2, ITGB2 | SLC7A5 2398/4885DPP4 4408/4885MMP2 575/4885 |
“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.