Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNA3 | P22001 | 1/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.56 |
| ▸ | USP2 | O75604 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
| ▸ | MMP9 | P14780 | 1/20 | 0.56 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.53 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.53 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.53 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.53 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.53 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.53 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.53 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.53 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.53 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.53 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.53 |
| ▸ | LTA4H | P09960 | 2/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL4741970 | 0.94 | KCNA3 (0.56) | KCNA3KDM4EUSP2ALDH1A1LMNA | |
| SCHEMBL7976554 | 0.89 | KCNA3 (0.52) | KCNA3ALDH1A1LTA4HHTR1BMEN1 | |
| SCHEMBL10391332 | 0.84 | KCNA3 (0.48) | KCNA3KDM4EUSP2ALDH1A1LMNA | |
| SCHEMBL3939161 | 0.84 | PKM (0.47) | KCNA3KDM4EALDH1A1HTR1BMEN1 | |
| SCHEMBL9714281 | 0.82 | LTA4H (0.58) | KCNA3LTA4HMEN1HTTKMT2A | |
| SCHEMBL24041852 | 0.82 | CA1 (0.51) | KCNA3 | |
| SCHEMBL5482990 | 0.82 | TP53 (0.67) | TSHRHTT | |
| Busulfan SCHEMBL16337522 | 0.80 | KDM4E (0.65) | KCNA3KDM4EUSP2ALDH1A1LMNA | |
| SCHEMBL23014971 | 0.80 | KDM4E (0.54) | KDM4EUSP2ALDH1A1LMNAMMP9 | |
| SCHEMBL8435356 | 0.80 | KDM4E (0.54) | KDM4EUSP2ALDH1A1LMNAMMP9 |
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-20040063758-A1 | INHIBITORS OF BACTERIAL NAD SYNTHETASE | BROUILLETTE WAYNE J (US) | 2004-04-01 | — | — | US | claimed |
| EP-1109805-B1 | INHIBITORS OF BACTERIAL NAD SYNTHETASE | UAB RESEARCH FOUNDATION (US) | 2003-12-17 | — | — | EP | claimed |
| WO-2005002337-A1 | DISINFECTANT COMPOSITIONS AND METHODS | VIRTUAL DRUG DEVELOPMENT, INC. (US) | 2005-01-13 | — | — | WO | disclosed |
| US-6727237-B2 | Inhibitors of bacterial NAD synthetase | BROUILLETTE WAYNE J (US) | 2004-04-27 | — | — | US | disclosed |
| US-20040063758-A1 | INHIBITORS OF BACTERIAL NAD SYNTHETASE | BROUILLETTE WAYNE J (US) | 2004-04-01 | — | — | US | disclosed |
| EP-1109805-B1 | INHIBITORS OF BACTERIAL NAD SYNTHETASE | UAB RESEARCH FOUNDATION (US) | 2003-12-17 | — | — | EP | disclosed |
| US-6500852-B1 | ENZYME INHIBITORS OF BACTERIAL NICOTINAMIDE ADENINE DINUCLEOTIDE (NAD) ENZYME LYASES USED AS BACTERICIDES, MICROBIOCIDE, ANTISEPTICS OR ANTIBIOTICS | UNIVERSITY OF ALABAMA RESEARCH FOUNDATION | 2002-12-31 | — | — | US | disclosed |
| EP-1109805-A1 | INHIBITORS OF BACTERIAL NAD SYNTHETASE | The UAB Research Foundation (US) | 2001-06-27 | — | — | EP | disclosed |
| WO-2000010996-A1 | INHIBITORS OF BACTERIAL NAD SYNTHETASE | THE UAB RESEARCH FOUNDATION (US) | 2000-03-02 | — | — | 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-20040063758-A1 | INHIBITORS OF BACTERIAL NAD SYNTHETASE | COASY, NADK, NQO1 | KCNA3 4748/4885KDM4E 2133/4885USP2 1901/4885 |
“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.