Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 17/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 17/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 15/20 | 0.46 |
| ▸ | HDAC4 | P56524 | 4/20 | 0.45 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.44 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL18502815 | 0.78 | HDAC1 (0.57) | HDAC1HDAC3HDAC6HDAC4ADORA2A | |
| SCHEMBL15580297 | 0.76 | HDAC1 (0.58) | HDAC1HDAC3HDAC6HDAC4ADORA2A | |
| SCHEMBL6003629 | 0.75 | ADORA2A (0.46) | ADORA2AADORA3ADORA2BADORA1 | |
| SCHEMBL19263798 | 0.75 | HDAC1 (0.57) | HDAC1HDAC3HDAC6HDAC4ADORA2A | |
| SCHEMBL15580299 | 0.73 | HDAC1 (0.60) | HDAC1HDAC3HDAC6HDAC4 | |
| SCHEMBL18508361 | 0.69 | HDAC1 (0.69) | HDAC1HDAC3HDAC6HDAC4 | |
| SCHEMBL102331 | 0.67 | PDPK1 (0.59) | ADORA2AADORA3ADORA2BADORA1 | |
| SCHEMBL30632310 | 0.65 | PDPK1 (0.56) | ADORA2AADORA3ADORA2BADORA1 | |
| SCHEMBL28154527 | 0.65 | PDPK1 (0.56) | ADORA2AADORA3ADORA2BADORA1 | |
| SCHEMBL31556353 | 0.65 | PDPK1 (0.56) | ADORA2AADORA3ADORA2BADORA1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9643941-B2 | 2,2′-tandem dithiazole compound, preparation method therefor, and use thereof | SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) | 2017-05-09 | — | — | US | disclosed |
| US-9643941-B2 | 2,2′-tandem dithiazole compound, preparation method therefor, and use thereof | SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) | 2017-05-09 | — | — | US | disclosed |
| US-20170044119-A1 | 2,2'-TANDEM DITHIAZOLE COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF | SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) | 2017-02-16 | — | — | US | disclosed |
| US-20170044119-A1 | 2,2'-TANDEM DITHIAZOLE COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF | SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) | 2017-02-16 | — | — | 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 (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-20170044119-A1 | 2,2'-TANDEM DITHIAZOLE COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF | HDAC2, HDAC11, HDAC8 | HDAC1 4/4885HDAC3 27/4885HDAC6 15/4885 |
“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.