Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 2/20 | 0.41 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.41 |
| ▸ | S1PR5 | Q9H228 | 2/20 | 0.41 |
| ▸ | GNAI3 | P08754 | 2/20 | 0.39 |
| ▸ | GNAO1 | P09471 | 2/20 | 0.39 |
| ▸ | GNAI1 | P63096 | 2/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 6/20 | 0.39 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 2/20 | 0.37 |
| ▸ | DRD3 | P35462 | 2/20 | 0.37 |
| ▸ | EBP | Q15125 | 1/20 | 0.37 |
| ▸ | CCR1 | P32246 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6352331 | 0.95 | GNAI3 (0.46) | S1PR1S1PR3S1PR5GNAI3GNAO1 | |
| SCHEMBL3897731 | 0.89 | KDM4E (0.36) | S1PR1S1PR3S1PR5SIGMAR1DRD2 | |
| Hydrochloric Acid SCHEMBL6356935 | 0.87 | KDM4E (0.35) | GNAI3GNAO1GNAI1SIGMAR1DRD2 | |
| SCHEMBL6348083 | 0.82 | POLB (0.33) | DRD2DRD3 | |
| SCHEMBL4840224 | 0.81 | HRH3 (0.33) | CCR1 | |
| SCHEMBL1139911 | 0.80 | KDM4E (0.33) | — | |
| SCHEMBL4831877 | 0.79 | KEAP1 (0.48) | SIGMAR1 | |
| Hydrochloric Acid SCHEMBL3978384 | 0.79 | TSHR (0.34) | — | |
| SCHEMBL6356887 | 0.76 | DPP4 (0.34) | — | |
| SCHEMBL4831827 | 0.76 | KEAP1 (0.44) | SIGMAR1 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6787540-B2 | FOR THERAPY OF AUTOIMMUNE DISEASES, ASTHMA, OSTEOPOROSIS, ATHEROSCLEROSIS, ALZHEIMER'S DISEASE | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. | 2004-09-07 | — | — | US | claimed |
| US-20020137932-A1 | Novel compounds useful as reversible inhibitors of cysteine proteases | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. | 2002-09-26 | — | — | US | claimed |
| US-6858623-B2 | Compounds useful as reversible inhibitors of cysteine proteases | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2005-02-22 | — | — | US | disclosed |
| US-6787540-B2 | FOR THERAPY OF AUTOIMMUNE DISEASES, ASTHMA, OSTEOPOROSIS, ATHEROSCLEROSIS, ALZHEIMER'S DISEASE | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. | 2004-09-07 | — | — | US | disclosed |
| US-6720319-B2 | ((1-(4-CYANO-1-(2-MORPHOLIN-4-YL-ETHYL)-PIPERIDIN-4 -YLCARBAMOYL)- 2-CYCLOHEXYL-ETHYLAMINO) -MORPHOLIN-4-YL-METHYLENE)- CARBAMIC ACID ISOBUTYL ESTER; CATHEPSINS S, K, F, L AND B; AUTOIMMUNE DISEASES | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. | 2004-04-13 | — | — | US | disclosed |
| US-20040006078-A1 | Compounds useful as reversible inhibitors of cysteine proteases | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. | 2004-01-08 | — | — | US | disclosed |
| US-20030232826-A1 | Compounds useful as reversible inhibitors of cysteine proteases | BOEHRINGER INGELHEIM PHARMACIUTICALS, INC. (US) | 2003-12-18 | — | — | US | disclosed |
| US-20030216383-A1 | Compounds useful as reversible inhibitors of cysteine proteases | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2003-11-20 | — | — | US | disclosed |
| US-6525052-B2 | Treating autoimmune diseases, Alzheimer's disease, atherosclerosis, osteoporosis, and asthma | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. | 2003-02-25 | — | — | US | disclosed |
| US-20020137932-A1 | Novel compounds useful as reversible inhibitors of cysteine proteases | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. | 2002-09-26 | — | — | US | 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 (4 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-20030232826-A1 | Compounds useful as reversible inhibitors of cysteine proteases | CTSS, CTSK, CTSB | S1PR1 2095/4885S1PR3 2109/4885S1PR5 2300/4885 |
| US-20040006078-A1 | Compounds useful as reversible inhibitors of cysteine proteases | CTSS, CTSK, CTSB | S1PR1 2095/4885S1PR3 2109/4885S1PR5 2300/4885 |
| US-20030216383-A1 | Compounds useful as reversible inhibitors of cysteine proteases | CTSS, CTSK, CTSB | S1PR1 2095/4885S1PR3 2109/4885S1PR5 2300/4885 |
| US-20020137932-A1 | Novel compounds useful as reversible inhibitors of cysteine proteases | CTSS, CTSK, CTSB | S1PR1 2029/4885S1PR3 2181/4885S1PR5 2415/4885 |
“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.