Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNN4 | O15554 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | AKT1 | P31749 | 1/20 | 0.40 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
| ▸ | ESRRB | O95718 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | EBP | Q15125 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL19145997 | 0.93 | ALDH1A1 (0.42) | KCNN4ALDH1A1TSHRHPGDLMNA | |
| SCHEMBL3932718 | 0.91 | ALDH1A1 (0.41) | KCNN4ALDH1A1TSHRHPGDLMNA | |
| SCHEMBL14996084 | 0.87 | KCNA3 (0.40) | KCNN4ALDH1A1TSHRHPGDLMNA | |
| SCHEMBL11817907 | 0.85 | MAPT (0.40) | ALDH1A1LMNAKDM4EMAPTKMT2A | |
| SCHEMBL11821360 | 0.85 | CA12 (0.41) | ALDH1A1TSHRHPGDLMNAKDM4E | |
| SCHEMBL11845684 | 0.85 | SMN1; SMN2 (0.50) | ALDH1A1KCNA3KMT2APOLBEBP | |
| SCHEMBL11818519 | 0.85 | ALDH1A1 (0.47) | ALDH1A1LMNAMAPTKMT2AHTT | |
| SCHEMBL20698826 | 0.84 | CCR1 (0.43) | KCNN4ALDH1A1TSHRHPGDLMNA | |
| SCHEMBL4431139 | 0.84 | CNR1 (0.41) | ALDH1A1TSHRHPGDLMNAMAPT | |
| SCHEMBL7749213 | 0.83 | TBXAS1 (0.41) | ALDH1A1LMNAKMT2AMEN1 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2041142-B1 | SPIROCYCLIC AZAINDOLE DERIVATIVES | GRUENENTHAL GMBH (DE) | 2013-10-09 | — | — | EP | disclosed |
| US-8399503-B2 | Spirocyclic azaindole derivatives | GRUENENTHAL GMBH (DE) | 2013-03-19 | — | — | US | disclosed |
| EP-2044016-B1 | 4-HETEROARYL-SUBSTITUTED 1-AMINOCYCLOHEXANE-1-AND CYCLOHEXENE-1-DERIVATIVES HAVING EFFECTS ON THE OPIOD RECEPTOR SYSTEM | GRUENENTHAL GMBH (DE) | 2012-12-05 | — | — | EP | disclosed |
| US-8138187-B2 | Substituted heteroaryl derivatives | GRUENENTHAL GMBH (DE) | 2012-03-20 | — | — | US | disclosed |
| US-20100009986-A1 | SUBSTITUTED HETEROARYL DERIVATIVES | GRUNENTHAL GMBH (DE) | 2010-01-14 | — | — | US | disclosed |
| US-20090156593-A1 | Spirocyclic Azaindole Derivatives | GRUNENTHAL GMBH (DE) | 2009-06-18 | — | — | US | disclosed |
| EP-2044016-A2 | 4-HETEROARYL-SUBSTITUTED 1-AMINOCYCLOHEXANE-1-AND CYCLOHEXENE-1-DERIVATIVES HAVING EFFECTS ON THE OPIOD RECEPTOR SYSTEM | Grünenthal GmbH (DE) | 2009-04-08 | — | — | EP | disclosed |
| EP-2041142-A1 | SPIROCYCLIC AZAINDOLE DERIVATIVES | Grünenthal GmbH (DE) | 2009-04-01 | — | — | EP | disclosed |
| WO-2008009416-A1 | SPIROCYCLIC AZAINDOLE DERIVATIVES | Grünenthal GmbH (DE) | 2008-01-24 | — | — | WO | disclosed |
| WO-2008009415-A2 | 4-HETEROARYL-SUBSTITUTED 1-AMINOCYCLOHEXANE-1- AND CYCLOHEXENE-1-DERIVATIVES HAVING EFFECTS ON THE OPIOD RECEPTOR SYSTEM | Grünenthal GmbH (DE) | 2008-01-24 | — | — | WO | disclosed |
| US-3979444-A | CENTRAL NERVOUS SYSTEM DEPRESSANTS, HYPOTENSIVES | THE UPJOHN COMPANY (US) | 1976-09-07 | — | — | 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 (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-20090156593-A1 | Spirocyclic Azaindole Derivatives | AZI2, TPMT, AADAC | KCNN4 3046/4885ALDH1A1 709/4885TSHR 2673/4885 |
| US-20100009986-A1 | SUBSTITUTED HETEROARYL DERIVATIVES | CYP3A43, HMGCR, ABCG2 | KCNN4 4310/4885ALDH1A1 3171/4885TSHR 3876/4885 |
“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.