Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.53 |
| ▸ | CA1 | P00915 | 2/20 | 0.53 |
| ▸ | CA2 | P00918 | 2/20 | 0.53 |
| ▸ | CA9 | Q16790 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | MIF | P14174 | 1/20 | 0.47 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | ELANE | P08246 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL2849989 | 1.00 | CA12 (0.53) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL6934998 | 0.89 | ALDH1A1 (0.59) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL8106690 | 0.88 | CA12 (0.50) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL23273413 | 0.85 | CA12 (0.48) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL28693879 | 0.85 | CA12 (0.48) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL3343995 | 0.84 | CA12 (0.50) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL4245012 | 0.84 | CA12 (0.50) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL4245008 | 0.84 | CA12 (0.50) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL3343985 | 0.84 | CA12 (0.50) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL3343992 | 0.84 | CA12 (0.50) | CA12CA1CA2CA9ALDH1A1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10285978-B2 | Heterocycle analogs of CAI-1 as agonists of quorum sensing in vibrio | THE TRUSTEES OF PRINCETON UNIVERSITY (US) | 2019-05-14 | — | — | US | disclosed |
| US-9968587-B2 | Heterocycle analogs of CAI-1 as agonists of quorum sensing in vibrio | THE TRUSTEES OF PRINCETON UNIVERSITY (US) | 2018-05-15 | — | — | US | disclosed |
| US-20180078526-A1 | HETEROCYCLE ANALOGS OF CAI-1 AS AGONISTS OF QUORUM SENSING IN VIBRIO | THE TRUSTEES OF PRINCETON UNIVERSITY (US) | 2018-03-22 | — | — | US | disclosed |
| US-20160200678-A1 | HETEROCYCLE ANALOGS OF CAI-1 AS AGONISTS OF QUORUM SENSING IN VIBRIO | THE TRUSTEES OF PRINCETON UNIVERSITY (US) | 2016-07-14 | — | — | US | disclosed |
| EP-1651596-B1 | NOVEL DERIVATIVES OF 4,4'-DITHIOBIS-(3-AMINOBUTANE-1-SULFONATES) AND COMPOSITIONS COMPRISING THE SAME | INST NAT SANTE RECH MED (FR) | 2010-01-13 | — | — | EP | disclosed |
| US-7582797-B2 | Derivatives of 4,4′-dithiobis-(3-aminobutane-1-sulfonates) and compositions comprising the same | INSTITUTE NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) | 2009-09-01 | — | — | US | disclosed |
| US-20060205695-A1 | Novel derivatives of 4,4' dithiobis-(3-aminobutane-1-1-sulfonates) and compositions comprising the same | INSTITUT NATINAL DE LA SANTE ET DE LA RECHERECHE (INSERM) (FR) | 2006-09-14 | — | — | US | disclosed |
| EP-1651596-A1 | NOVEL DERIVATIVES OF 4,4'-DITHIOBIS-(3-AMINOBUTANE-1-SULFONATES) AND COMPOSITIONS COMPRISING THE SAME | INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) | 2006-05-03 | — | — | EP | disclosed |
| WO-2005014535-A1 | NOVEL DERIVATIVES OF 4,4'-DITHIOBIS-(3-AMINOBUTANE-1-SULFONATES) AND COMPOSITIONS COMPRISING THE SAME | INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) | 2005-02-17 | — | — | 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 (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-20180078526-A1 | HETEROCYCLE ANALOGS OF CAI-1 AS AGONISTS OF QUORUM SENSING IN VIBRIO | CACNG1, VIPR1, CAP1 | CA12 445/4885CA1 129/4885CA2 34/4885 |
| US-20060205695-A1 | Novel derivatives of 4,4' dithiobis-(3-aminobutane-1-1-sulfonates) and compositions comprising the same | AGTR1, AGTR2, AGT | CA12 2136/4885CA1 2149/4885CA2 367/4885 |
| US-10285978-B2 | Heterocycle analogs of CAI-1 as agonists of quorum sensing in vibrio | CACNG1, VIPR1, CAP1 | CA12 445/4885CA1 129/4885CA2 34/4885 |
| US-20160200678-A1 | HETEROCYCLE ANALOGS OF CAI-1 AS AGONISTS OF QUORUM SENSING IN VIBRIO | CACNG1, VIPR1, CAP1 | CA12 445/4885CA1 129/4885CA2 34/4885 |
“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.