Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 3/20 | 0.51 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.51 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.51 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | KDM4A | O75164 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL17295921 | 0.93 | HDAC3 (0.52) | HDAC3HDAC1HDAC6ABCB1CYP1A2 | |
| SCHEMBL7145374 | 0.88 | ABCB1 (0.54) | HDAC3HDAC1HDAC6ABCB1CYP1A2 | |
| SCHEMBL19370070 | 0.88 | HDAC3 (0.52) | HDAC3HDAC1HDAC6CYP1A2CYP3A4 | |
| SCHEMBL1852466 | 0.88 | HDAC3 (0.52) | HDAC3HDAC1HDAC6ABCB1CYP1A2 | |
| SCHEMBL18764665 | 0.87 | HDAC3 (0.42) | HDAC3HDAC1HDAC6ABCB1CYP1A2 | |
| SCHEMBL1468200 | 0.86 | HDAC3 (0.51) | HDAC3HDAC1HDAC6ABCB1CYP1A2 | |
| SCHEMBL21916541 | 0.85 | HDAC3 (0.50) | HDAC3HDAC1HDAC6ABCB1CYP1A2 | |
| SCHEMBL21812621 | 0.85 | HDAC3 (0.55) | HDAC3HDAC1HDAC6ABCB1CYP1A2 | |
| SCHEMBL20679754 | 0.84 | HDAC3 (0.49) | HDAC3HDAC1HDAC6ABCB1CYP1A2 | |
| SCHEMBL9978510 | 0.83 | HDAC3 (0.51) | HDAC3HDAC1HDAC6ABCB1CYP1A2 |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7973061-B2 | Anaplastic lymphoma kinase modulators and methods of use | EXELIXIS, INC. (US) | 2011-07-05 | — | — | US | disclosed |
| US-7973061-B2 | Anaplastic lymphoma kinase modulators and methods of use | EXELIXIS, INC. (US) | 2011-07-05 | — | — | US | disclosed |
| US-7973061-B2 | Anaplastic lymphoma kinase modulators and methods of use | EXELIXIS, INC. (US) | 2011-07-05 | — | — | US | disclosed |
| US-20100113305-A1 | OXAZOLE AND THIAZOLE COMBINATORIAL LIBRARIES | BOARD OF GOVERNORS FOR HIGHER EDUCATION, STATE OF RHODE ISLAND AND PROVIDENCE PLANTATIONS (US) | 2010-05-06 | — | — | US | disclosed |
| US-20100113305-A1 | OXAZOLE AND THIAZOLE COMBINATORIAL LIBRARIES | BOARD OF GOVERNORS FOR HIGHER EDUCATION, STATE OF RHODE ISLAND AND PROVIDENCE PLANTATIONS (US) | 2010-05-06 | — | — | US | disclosed |
| US-20090186905-A1 | ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE | EXELIXIS, INC. (US) | 2009-07-23 | — | — | US | disclosed |
| US-20090186905-A1 | ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE | EXELIXIS, INC. (US) | 2009-07-23 | — | — | US | disclosed |
| US-20090186905-A1 | ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE | EXELIXIS, INC. (US) | 2009-07-23 | — | — | US | disclosed |
| EP-1730128-A1 | ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE | Exelixis, Inc. (US) | 2006-12-13 | — | — | EP | disclosed |
| US-20060161007-A1 | Oxazole and thiazole combinatorial libraries | M MARTIN LENORE | 2006-07-20 | — | — | US | disclosed |
| WO-2005097765-A1 | ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE | EXELIXIS, INC. (US) | 2005-10-20 | — | — | WO | disclosed |
| EP-1169311-A4 | OXAZOLE AND THIAZOLE COMBINATORIAL LIBRARIES | RHODE ISLAND EDUCATION (US) | 2004-09-15 | — | — | EP | disclosed |
| EP-1169311-A1 | OXAZOLE AND THIAZOLE COMBINATORIAL LIBRARIES | THE BOARD OF GOVERNORS FOR HIGHER EDUCATION STATE OF RHODE ISLAND AND PROVIDENCE PLANTATIONS (US) | 2002-01-09 | — | — | EP | disclosed |
| WO-2000056724-A9 | OXAZOLE AND THIAZOLE COMBINATORIAL LIBRARIES | RHODE ISLAND EDUCATION (US) | 2001-10-25 | — | — | WO | disclosed |
| WO-2000056724-A1 | OXAZOLE AND THIAZOLE COMBINATORIAL LIBRARIES | THE BOARD OF GOVERNORS FOR HIGHER EDUCATION, STATE OF RHODE ISLAND AND PROVIDENCE PLANTATIONS (US) | 2000-09-28 | — | — | 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 (3 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-20100113305-A1 | OXAZOLE AND THIAZOLE COMBINATORIAL LIBRARIES | OXA1L, SPOUT1, BCAT2 | HDAC3 854/4885HDAC1 988/4885HDAC6 418/4885 |
| US-20090186905-A1 | ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE | ALK, BCL3, MCL1 | HDAC3 691/4885HDAC1 1046/4885HDAC6 1698/4885 |
| US-20060161007-A1 | Oxazole and thiazole combinatorial libraries | OXA1L, SPOUT1, BCAT2 | HDAC3 854/4885HDAC1 988/4885HDAC6 418/4885 |
“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.