Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 4/20 | 0.62 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.62 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.52 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.52 |
| ▸ | HRH1 | P35367 | 2/20 | 0.46 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.44 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.44 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.44 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.44 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.44 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.44 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.44 |
| ▸ | AKT2 | P31751 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | AKT1 | P31749 | 1/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | SCN1A | P35498 | 1/20 | 0.40 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1422822 | 0.79 | SLC6A2 (0.59) | HTR2ATAAR1CHRNB2CHRNA4HRH1 | |
| SCHEMBL2066147 | 0.79 | SLC6A2 (0.59) | HTR2ATAAR1CHRNB2CHRNA4HRH1 | |
| SCHEMBL27511961 | 0.79 | SLC6A2 (0.59) | HTR2ATAAR1CHRNB2CHRNA4HRH1 | |
| SCHEMBL149259 | 0.78 | HTR2A (1.00) | HTR2ATAAR1CHRNB2CHRNA4HRH1 | |
| Hydrochloric Acid SCHEMBL16702791 | 0.78 | SLC6A2 (0.57) | HTR2ATAAR1CHRNB2CHRNA4HRH1 | |
| Hydrochloric Acid SCHEMBL7864529 | 0.78 | SLC6A2 (0.57) | HTR2ATAAR1CHRNB2CHRNA4HRH1 | |
| Hydrochloric Acid SCHEMBL7927468 | 0.78 | SLC6A2 (0.57) | HTR2ATAAR1CHRNB2CHRNA4HRH1 | |
| Water SCHEMBL28365853 | 0.76 | HTR2A (0.94) | HTR2ATAAR1CHRNB2CHRNA4HRH1 | |
| Bromide SCHEMBL6737914 | 0.76 | HTR2A (0.94) | HTR2ATAAR1CHRNB2CHRNA4HRH1 | |
| Hydrochloric Acid SCHEMBL8550503 | 0.76 | HTR2A (0.94) | HTR2ATAAR1CHRNB2CHRNA4HRH1 |
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 |
|---|---|---|---|---|---|---|---|
| US-9873702-B2 | Heterocyclic compounds as biogenic amine transport modulators | SOUTHERN RESEARCH INSTITUTE (US) | 2018-01-23 | — | — | US | disclosed |
| EP-3226867-A1 | HETEROCYCLIC COMPOUNDS AS BIOGENIC AMINE TRANSPORT MODULATORS | Ananthan, Subramaniam (US) | 2017-10-11 | — | — | EP | disclosed |
| US-20160159809-A1 | HETEROCYCLIC COMPOUNDS AS BIOGENIC AMINE TRANSPORT MODULATORS | SOUTHERN RESEARCH INSTITUTE | 2016-06-09 | — | — | US | disclosed |
| WO-2016090296-A1 | HETEROCYCLIC COMPOUNDS AS BIOGENIC AMINE TRANSPORT MODULATORS | ANANTHAN SUBRAMANIAM (US) | 2016-06-09 | — | — | WO | disclosed |
| US-20120294803-A1 | CXCR4 ANTAGONISTS FOR IMAGING OF CANCER AND INFLAMMATORY DISORDERS | EMORY UNIVERSITY (US) | 2012-11-22 | — | — | US | disclosed |
| US-8080659-B2 | CXCR4 antagonists including diazine and triazine structures for the treatment of medical disorders | EMORY UNIVERSITY (US) | 2011-12-20 | — | — | US | disclosed |
| WO-2011094389-A2 | CXCR4 ANTAGONISTS FOR IMAGING OF CANCER AND INFLAMMATORY DISORDERS | EMORY UNIVERSITY (US) | 2011-08-04 | — | — | WO | disclosed |
| US-20090099194-A1 | CXCR4 Antagonists Including Diazine And Triazine Structures For The Treatment Of Medical Disorders | EMORY UNIVERSITY | 2009-04-16 | — | — | US | disclosed |
| EP-2041067-A2 | CXER4 ANTAGONISTS INCLUDING DIAZINE AND TRIAZINE STRUCTURES FOR THE TREATMENT OF MEDICAL DISORDERS | Emory University (US) | 2009-04-01 | — | — | EP | disclosed |
| WO-2008008854-A9 | CXCR4 ANTAGONISTS INCLUDING DIAZINE AND TRIAZINE STRUCTURES FOR THE TREATMENT OF MEDICAL DISORDERS | UNIV EMORY (US) | 2008-03-27 | — | — | WO | disclosed |
| WO-2008008854-A2 | CXCR4 ANTAGONISTS INCLUDING DIAZINE AND TRIAZINE STRUCTURES FOR THE TREATMENT OF MEDICAL DISORDERS | EMORY UNIVERSITY (US) | 2008-01-17 | — | — | 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 (3 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-20160159809-A1 | HETEROCYCLIC COMPOUNDS AS BIOGENIC AMINE TRANSPORT MODULATORS | SLC18A2, SLC6A2, SLC6A3 | HTR2A 22/4885TAAR1 11/4885CHRNB2 126/4885 |
| US-20120294803-A1 | CXCR4 ANTAGONISTS FOR IMAGING OF CANCER AND INFLAMMATORY DISORDERS | CXCR4, CXCR3, CXCR1 | HTR2A 1039/4885TAAR1 344/4885CHRNB2 2050/4885 |
| US-20090099194-A1 | CXCR4 Antagonists Including Diazine And Triazine Structures For The Treatment Of Medical Disorders | CXCR4, CXCL12, CCR5 | HTR2A 496/4885TAAR1 919/4885CHRNB2 2464/4885 |
“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.