Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 3/20 | 0.42 |
| ▸ | GRM5 | P41594 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | CCR2 | P41597 | 2/20 | 0.38 |
| ▸ | CCR1 | P32246 | 1/20 | 0.38 |
| ▸ | CCR5 | P51681 | 1/20 | 0.38 |
| ▸ | DRD4 | P21917 | 1/20 | 0.38 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.38 |
| ▸ | PHGDH | O43175 | 1/20 | 0.37 |
| ▸ | AADAT | Q8N5Z0 | 1/20 | 0.37 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL17543063 | 1.00 | NOTUM (0.42) | NOTUMGRM5KMT2AALDH1A1CCR2 | |
| SCHEMBL17544079 | 1.00 | NOTUM (0.42) | NOTUMGRM5KMT2AALDH1A1CCR2 | |
| SCHEMBL17542923 | 0.86 | KMT2A (0.39) | NOTUMGRM5KMT2AALDH1A1CCR2 | |
| SCHEMBL17543126 | 0.83 | ALDH1A1 (0.40) | NOTUMKMT2AALDH1A1CCR2CCR1 | |
| SCHEMBL17543128 | 0.83 | ALDH1A1 (0.40) | NOTUMKMT2AALDH1A1CCR2CCR1 | |
| SCHEMBL17542852 | 0.81 | MAOA (0.33) | NOTUMALDH1A1P2RX7 | |
| SCHEMBL17543269 | 0.81 | MAOA (0.33) | NOTUMALDH1A1P2RX7 | |
| SCHEMBL17543750 | 0.81 | MAOA (0.33) | NOTUMALDH1A1P2RX7 | |
| SCHEMBL29931936 | 0.79 | ALDH1A1 (0.59) | GRM5KMT2AALDH1A1DRD4GRM2 | |
| SCHEMBL17543687 | 0.79 | ALDH1A1 (0.59) | GRM5KMT2AALDH1A1DRD4GRM2 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106795117-B | Heterobicyclic compounds and their use for the treatment of tuberculosis | 大塚制药株式会社 | 2020-06-26 | — | — | CN | disclosed |
| US-10464926-B2 | Heterobicyclic compounds and their use for the treatment of tuberculosis | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2019-11-05 | — | — | US | disclosed |
| EP-3186240-B1 | HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS | OTSUKA PHARMA CO LTD (JP) | 2019-06-12 | — | — | EP | disclosed |
| US-20180312488-A1 | HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2018-11-01 | — | — | US | disclosed |
| US-10053446-B2 | Heterobicyclic compounds and their use for the treatment of tuberculosis | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2018-08-21 | — | — | US | disclosed |
| US-20170253576-A1 | HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2017-09-07 | — | — | US | disclosed |
| EP-3186240-A1 | HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS | Otsuka Pharmaceutical Co., Ltd. (JP) | 2017-07-05 | — | — | EP | disclosed |
| WO-2016031255-A1 | HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2016-03-03 | — | — | 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 (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-10053446-B2 | Heterobicyclic compounds and their use for the treatment of tuberculosis | FNTB, SLC11A2, TBCD | NOTUM 1610/4885GRM5 2762/4885KMT2A 2525/4885 |
| US-10464926-B2 | Heterobicyclic compounds and their use for the treatment of tuberculosis | FNTB, SLC11A2, TBCD | NOTUM 1610/4885GRM5 2762/4885KMT2A 2525/4885 |
| US-20180312488-A1 | HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS | FNTB, SLC11A2, TBCD | NOTUM 1610/4885GRM5 2762/4885KMT2A 2525/4885 |
| US-20170253576-A1 | HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS | FNTB, SLC11A2, TBCD | NOTUM 1610/4885GRM5 2762/4885KMT2A 2525/4885 |
“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.