Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 5/20 | 0.41 |
| ▸ | ESRRG | P62508 | 3/20 | 0.39 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.39 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.38 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.37 |
| ▸ | KDR | P35968 | 1/20 | 0.37 |
| ▸ | F9 | P00740 | 1/20 | 0.37 |
| ▸ | APP | P05067 | 2/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | IKBKB | O14920 | 3/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3183267 | 0.88 | ESRRG (0.44) | HDAC6ESRRGESR1ESR2JAK2 | |
| SCHEMBL3194172 | 0.86 | HDAC6 (0.41) | HDAC6ESRRGHDAC3HDAC1HDAC2 | |
| SCHEMBL3196705 | 0.86 | ESR1 (0.44) | HDAC6HDAC1PDGFRBKDRF9 | |
| SCHEMBL3203960 | 0.84 | HDAC6 (0.56) | HDAC6F9APPKDM4ENPC1 | |
| SCHEMBL3201324 | 0.82 | EIF2AK2 (0.41) | HDAC6HDAC3HDAC1HDAC2PDGFRB | |
| SCHEMBL3202698 | 0.81 | CNR1 (0.42) | HDAC6ESRRGPDGFRBKDRESR1 | |
| SCHEMBL3201137 | 0.79 | PDGFRB (0.45) | ESRRGPDGFRBKDR | |
| SCHEMBL3194962 | 0.79 | HDAC6 (0.45) | HDAC6F9NPC1RAB9AALDH1A1 | |
| SCHEMBL3183526 | 0.76 | APP (0.55) | HDAC6HDAC3HDAC1HDAC2TRPV1 | |
| SCHEMBL3204255 | 0.74 | HDAC6 (0.44) | HDAC6PDGFRBKDRAPPKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| CN-101928327-A | Bifunctional tridentate pyrazolyl containing ligands for re and tc tricarbonyl complexes | MALLINCKRODT INC | 2010-12-29 | — | — | CN | claimed |
| CN-1774268-A | Bifunctional tridentate pyrazolyl containing ligands for rhenium and technetium tricarbonyl complexes | MALLINCKRODT INC (US) | 2006-05-17 | — | — | CN | claimed |
| CN-101928327-A | Bifunctional tridentate pyrazolyl containing ligands for re and tc tricarbonyl complexes | MALLINCKRODT INC | 2010-12-29 | — | — | CN | disclosed |
| EP-1644050-B1 | BIFUNCTIONAL TRIDENTATE PYRAZOLYL CONTAINING LIGANDS FOR RE, TC AND MN TRICARBONYL COMPLEXES | MALLINCKRODT INC (US) | 2010-06-09 | — | — | EP | disclosed |
| US-7682601-B2 | Bifunctional tridentate pyrazolyl containing ligands for re and tc tricarbonyl complexes | MALLINCKRODT INC. (US) | 2010-03-23 | — | — | US | disclosed |
| US-20060198785-A1 | Bifunctional tridentate pyrazolyl containing ligands for re and tc tricarbonyl complexes | MALLINCKRODT HOSPITAL PRODUCTS IP UNLIMITED COMPANY (F/K/A MALLINCKRODT HOSPITAL PRODUCTS IP LIMITED) (IE) | 2006-09-07 | — | — | US | disclosed |
| CN-1774268-A | Bifunctional tridentate pyrazolyl containing ligands for rhenium and technetium tricarbonyl complexes | MALLINCKRODT INC (US) | 2006-05-17 | — | — | CN | disclosed |
| EP-1644050-A1 | BIFUNCTIONAL TRIDENTATE PYRAZOLYL CONTAINING LIGANDS FOR RE, TC AND MN TRICARBONYL COMPLEXES | Mallinckrodt Inc. (US) | 2006-04-12 | — | — | EP | disclosed |
| EP-1529537-A1 | Bifunctional tridentate pyrazolyl containing ligands for RE, TC and MN tricarbonyl complexes | Mallinckrodt International Corporation (US) | 2005-05-11 | — | — | EP | disclosed |
| EP-1529537-A1 | Bifunctional tridentate pyrazolyl containing ligands for RE, TC and MN tricarbonyl complexes | Mallinckrodt International Corporation (US) | 2005-05-11 | — | — | EP | disclosed |
| WO-2004091669-A1 | BIFUNCTIONAL TRIDENTATE PYRAZOLYL CONTAINING LIGANDS FOR RE AND TC TRICARBONYL COMPLEXES | MALLINCKRODT INC. (US) | 2004-10-28 | — | — | 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 (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-20060198785-A1 | Bifunctional tridentate pyrazolyl containing ligands for re and tc tricarbonyl complexes | NCOR1, NCOR2, NCOA4 | HDAC6 2602/4885ESRRG 270/4885PTPN2 835/4885 |
“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.