Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 1/20 | 0.48 |
| ▸ | MGAM | O43451 | 1/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 5/20 | 0.46 |
| ▸ | NPC1 | O15118 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.46 |
| ▸ | RELA | Q04206 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | CFTR | P13569 | 1/20 | 0.44 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.44 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL21171726 | 0.80 | TRPV1 (0.51) | KDRMGAMHDAC6RAB9ATRPV1 | |
| SCHEMBL2401749 | 0.77 | NPY5R (0.46) | RAB9ATRPV1CYP1A2LMNAPOLB | |
| SCHEMBL21171720 | 0.77 | HDAC6 (0.49) | HDAC6CYP1A2 | |
| SCHEMBL21171892 | 0.77 | S1PR3 (0.43) | KDRMGAMHDAC6RAB9ANPC1 | |
| SCHEMBL21171709 | 0.77 | SMN1; SMN2 (0.41) | KDRMGAMHDAC6RAB9ANPC1 | |
| SCHEMBL30831434 | 0.77 | ALDH1A1 (0.53) | MGAMRAB9ANPC1MAPTSMN1; SMN2 | |
| SCHEMBL701411 | 0.77 | ALDH1A1 (0.53) | MGAMRAB9ANPC1MAPTSMN1; SMN2 | |
| SCHEMBL263918 | 0.77 | CYP1A2 (0.52) | MGAMRAB9AMAPTCYP1A2ALDH1A1 | |
| SCHEMBL6597946 | 0.77 | CYP1A2 (0.52) | MGAMRAB9AMAPTSMN1; SMN2CYP1A2 | |
| SCHEMBL30101236 | 0.77 | CYP1A2 (0.52) | MGAMRAB9AMAPTCYP1A2ALDH1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2066627-B1 | NOVEL MINOR GROOVE BINDERS | UNIV STRATHCLYDE (GB) | 2013-10-23 | — | — | EP | disclosed |
| US-20130065857-A1 | NOVEL DXR INHIBITORS FOR ANTIMICROBIAL THERAPY | BAYLOR COLLEGE OF MEDICINE (US) | 2013-03-14 | — | — | US | disclosed |
| US-20130065857-A1 | NOVEL DXR INHIBITORS FOR ANTIMICROBIAL THERAPY | BAYLOR COLLEGE OF MEDICINE (US) | 2013-03-14 | — | — | US | disclosed |
| US-8012967-B2 | Minor groove binders | UNIVERSITY OF STRATHCLYDE (GB) | 2011-09-06 | — | — | US | disclosed |
| US-20100016311-A1 | NOVEL MINOR GROOVE BINDERS | UNIVERSITY OF STRATHCLYDE (GB) | 2010-01-21 | — | — | 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-20100016311-A1 | NOVEL MINOR GROOVE BINDERS | TOP2B, DNA2, CTCF | KDR 2030/4885MGAM 3274/4885HDAC6 334/4885 |
| US-20130065857-A1 | NOVEL DXR INHIBITORS FOR ANTIMICROBIAL THERAPY | DDX18, FPR1, DCXR | KDR 4554/4885MGAM 3227/4885HDAC6 3219/4885 |
“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.