Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | CRHBP | P24387 | 1/20 | 0.40 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | TNF | P01375 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL13885134 | 0.99 | CYP2D6 (0.46) | CYP2D6CYP2C9CYP2C19MAPTLMNA | |
| SCHEMBL4419693 | 0.88 | CYP2D6 (0.47) | CYP2D6CYP2C9CYP2C19MAPTLMNA | |
| Ammonia Solution, Strong SCHEMBL4431916 | 0.87 | CYP2D6 (0.48) | CYP2D6CYP2C9CYP2C19MAPTLMNA | |
| SCHEMBL4425381 | 0.84 | CYP2D6 (0.43) | CYP2D6CYP2C9CYP2C19MAPTLMNA | |
| SCHEMBL3222070 | 0.75 | CA1 (0.47) | CYP2D6CYP2C9CYP2C19MAPTALDH1A1 | |
| SCHEMBL4430974 | 0.74 | CYP2D6 (0.64) | CYP2D6CYP2C9CYP2C19ALDH1A1KMT2A | |
| SCHEMBL4431396 | 0.74 | CA1 (0.46) | CYP2D6CYP2C9CYP2C19MAPTALDH1A1 | |
| SCHEMBL4432236 | 0.74 | CYP2C9 (0.55) | CYP2D6CYP2C9CYP2C19MAPTALDH1A1 | |
| SCHEMBL4425869 | 0.74 | CYP2D6 (0.46) | CYP2D6CYP2C9CYP2C19MAPTLMNA | |
| SCHEMBL4422634 | 0.73 | CYP2D6 (0.43) | CYP2D6CYP2C9CYP2C19LMNAALDH1A1 |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7514556-B2 | Inhibitors of β-lactamase | METHYLGENE INC. (CA) | 2009-04-07 | — | — | US | disclosed |
| US-20070293675-A1 | Novel Inhibitors Of Beta-Lactamase | METHYLGENE, INC. (CA) | 2007-12-20 | — | — | US | disclosed |
| US-7259172-B2 | phenyl or thien-2-yl substituted amide methyl phosphonate or phosphonyl halide derivatives; do not require a beta -lactam pharmacophore; bactericides; antibiotic resistance | METHYLGENE INC. (CA) | 2007-08-21 | — | — | US | disclosed |
| US-20060105999-A1 | Novel inhibitors of beta-lactamase | METHYLGENE, INC. (CA) | 2006-05-18 | — | — | US | disclosed |
| US-7030103-B2 | Sulfonamidomethyl phosphonate inhibitors of β-lactamase | METHYLGENE, INC. (CA) | 2006-04-18 | — | — | US | disclosed |
| EP-1194436-B1 | SULFONAMIDOMETHYL PHOSPHONATE INHIBITORS OF BETA-LACTAMASE | METHYLGENE INC (CA) | 2005-11-30 | — | — | EP | disclosed |
| US-6921756-B2 | Inhibitors of β-lactamase | METHYLGENE, INC. (CA) | 2005-07-26 | — | — | US | disclosed |
| US-6884791-B2 | Inhibitors of β-lactamase | METHYLGENE, INC. (CA) | 2005-04-26 | — | — | US | disclosed |
| US-20050043276-A1 | Novel inhibitors of beta-lactamase | METHYLGENE, INC. (CA) | 2005-02-24 | — | — | US | disclosed |
| WO-2004048393-A2 | NOVEL INHIBITORS OF β-LACTAMASE | METHYLGENE, INC. (CA) | 2004-06-10 | — | — | WO | disclosed |
| US-20040082546-A1 | Novel Inhibitors of beta-lactamase | METHYLGENE, INC. | 2004-04-29 | — | — | US | disclosed |
| US-20040059115-A1 | Novel sulfonamidomethyl phosphonate inhibitors of beta-lactamase | 92229129 QUEBEC INC. (CA) | 2004-03-25 | — | — | US | disclosed |
| US-20040029836-A1 | Novel inhibitors of beta-lactamase | 92229129 QUEBEC INC. (CA) | 2004-02-12 | — | — | US | disclosed |
| US-6472406-B1 | Sulfonamidomethyl phosphonate inhibitors of beta-lactamase | METHYLGENE, INC. (CA) | 2002-10-29 | — | — | US | disclosed |
| EP-1194436-A1 | SULFONAMIDOMETHYL PHOSPHONATE INHIBITORS OF BETA-LACTAMASE | Methylgene, Inc. (CA) | 2002-04-10 | — | — | EP | disclosed |
| WO-2001002411-A1 | SULFONAMIDOMETHYL PHOSPHONATE INHIBITORS OF β-LACTAMASE | METHYLGENE INC. (CA) | 2001-01-11 | — | — | 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 (6 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-20050043276-A1 | Novel inhibitors of beta-lactamase | MGAM, LSS, CYP51A1 | CYP2D6 335/4885CYP2C9 493/4885CYP2C19 410/4885 |
| US-20040029836-A1 | Novel inhibitors of beta-lactamase | LSS, MGAM, COASY | CYP2D6 384/4885CYP2C9 578/4885CYP2C19 499/4885 |
| US-20060105999-A1 | Novel inhibitors of beta-lactamase | LSS, MGAM, LCT | CYP2D6 384/4885CYP2C9 580/4885CYP2C19 531/4885 |
| US-20040059115-A1 | Novel sulfonamidomethyl phosphonate inhibitors of beta-lactamase | PGLS, MGAM, STS | CYP2D6 886/4885CYP2C9 1663/4885CYP2C19 1296/4885 |
| US-20070293675-A1 | Novel Inhibitors Of Beta-Lactamase | MGAM, LSS, CYP51A1 | CYP2D6 335/4885CYP2C9 493/4885CYP2C19 410/4885 |
| US-20040082546-A1 | Novel Inhibitors of beta-lactamase | LSS, MGAM, COASY | CYP2D6 298/4885CYP2C9 465/4885CYP2C19 443/4885 |
“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.