Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NISCH | Q9Y2I1 | 13/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.51 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | TOP2A | P11388 | 1/20 | 0.41 |
| ▸ | TOP2B | Q02880 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9375560 | 0.79 | NISCH (0.61) | NISCHKDM4ECYP1A2 | |
| Hydrochloric Acid SCHEMBL8894710 | 0.78 | LMNA (0.56) | NISCHLMNARECQLTOP2ATOP2B | |
| SCHEMBL3125846 | 0.75 | NISCH (0.51) | NISCH | |
| Hydrochloric Acid SCHEMBL3136702 | 0.74 | NISCH (0.50) | NISCH | |
| SCHEMBL27612098 | 0.73 | NISCH (0.59) | NISCHKDM4ECYP1A2ALDH1A1CYP3A4 | |
| Hydrochloric Acid SCHEMBL8842474 | 0.73 | NISCH (0.64) | NISCHCYP1A2ALDH1A1LMNARECQL | |
| SCHEMBL1345182 | 0.71 | NISCH (1.00) | NISCHKDM4ECYP1A2ALDH1A1CYP3A4 | |
| SCHEMBL30373758 | 0.71 | NISCH (1.00) | NISCHKDM4ECYP1A2ALDH1A1CYP3A4 | |
| Bicarbonate SCHEMBL9375006 | 0.71 | NISCH (0.52) | NISCH | |
| SCHEMBL14286968 | 0.70 | NISCH (0.56) | NISCHKDM4ECYP1A2ALDH1A1CYP3A4 |
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 93 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20070099905-A1 | Combinations of drugs for the treatment of neoplasms | BORISY ALEXIS | 2007-05-03 | — | — | US | claimed |
| EP-1651211-A4 | COMBINATION OF DRUGS FOR THE TREATMENT OF NEOPLASMS | COMBINATORX INC (US) | 2006-11-22 | — | — | EP | claimed |
| EP-1651211-A2 | COMBINATION OF DRUGS FOR THE TREATMENT OF NEOPLASMS | Combinatorx, Incorporated (US) | 2006-05-03 | — | — | EP | claimed |
| EP-1545544-A2 | COMBINATIONS OF DRUGS FOR THE TREATMENT OF NEOPLASMS | Combinatorx, Incorporated (US) | 2005-06-29 | — | — | EP | claimed |
| US-20050080075-A1 | Formulations, conjugates, and combinations of drugs for the treatment of neoplasms | COMBINATORX, INC. | 2005-04-14 | — | — | US | claimed |
| WO-2005020913-A2 | FORMULATIONS, CONJUGATES, AND COMBINATIONS OF DRUGS FOR THE TREATMENT OF NEOPLASMS | COMBINATORX, INCORPORATED (US) | 2005-03-10 | — | — | WO | claimed |
| US-20050054708-A1 | Combinations of drugs for the treatment of neoplasms | COMINATORX, INCORPORATED | 2005-03-10 | — | — | US | claimed |
| WO-2005011572-A2 | COMBINATION OF DRUGS FOR THE TREATMENT OF NEOPLASMS | COMBINATORX, INCORPORATED (US) | 2005-02-10 | — | — | WO | claimed |
| US-20040116407-A1 | Combinations of drugs for the treatment of neoplasms | COMBINATORX, INC. | 2004-06-17 | — | — | US | claimed |
| WO-2004006842-A2 | COMBINATIONS OF DRUGS FOR THE TREATMENT OF NEOPLASMS | COMBINATORX, INCORPORATED (US) | 2004-01-22 | — | — | WO | claimed |
| WO-2004006849-A2 | COMBINATIONS OF DRUGS FOR THE TREATMENT OF NEOPLASMS | COMBINATORX, INCORPORATED (US) | 2004-01-22 | — | — | WO | claimed |
| US-5686456-A | DIARYLPYRIMIDINES | THE UNIVERSITY OF NORTH CAROLINA (US) | 1997-11-11 | — | — | US | claimed |
| US-5627184-A | BACTERICIDES OF PYRIMIDINE DERIVATIVES | THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) | 1997-05-06 | — | — | US | claimed |
| US-5622955-A | ADMINISTERING 2,4-BIS-/4-GUANYLPHENYL/-PYRIMIDINE OR DERIVATIVES | THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) | 1997-04-22 | — | — | US | claimed |
| EP-1891013-B1 | TETRAHYDROQUINOLINE DERIVATIVES | MERCK PATENT GMBH (DE) | 2014-07-23 | — | — | EP | disclosed |
| US-8524732-B2 | Substituted tetrahydroquinolines | MERCK PATENT GMBH (DE) | 2013-09-03 | — | — | US | disclosed |
| EP-2121700-B1 | SUBSTITUTED TETRAHYDROQUINOLINES | MERCK PATENT GMBH (DE) | 2012-10-03 | — | — | EP | disclosed |
| US-5622955-A | ADMINISTERING 2,4-BIS-/4-GUANYLPHENYL/-PYRIMIDINE OR DERIVATIVES | THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) | 1997-04-22 | — | — | US | disclosed |
| US-5606058-A | HAVING REDUCED SIDE EFFECTS | THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) | 1997-02-25 | — | — | US | disclosed |
| US-5521189-A | PYRIMIDINE COMPOUNDS AS ANTIPROTOZOA AGENTS | THE UNIVERSITY OF NC AT CH (US) | 1996-05-28 | — | — | 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 (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-20050080075-A1 | Formulations, conjugates, and combinations of drugs for the treatment of neoplasms | ABCB1, SLCO1B3, SLCO1B1 | NISCH 967/4885KDM4E 2098/4885CYP1A2 173/4885 |
| US-20070099905-A1 | Combinations of drugs for the treatment of neoplasms | VHL, NRAS, MYC | NISCH 284/4885KDM4E 3522/4885CYP1A2 978/4885 |
| US-20050054708-A1 | Combinations of drugs for the treatment of neoplasms | TYMP, DPYD, DHFR | NISCH 802/4885KDM4E 3350/4885CYP1A2 2769/4885 |
“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.