Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | CCR8 | P51685 | 1/20 | 0.40 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.39 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.39 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | STAT6 | P42226 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6159152 | 0.83 | ALDH1A1 (0.50) | ALDH1A1NPSR1KMT2ATDP1GAA | |
| SCHEMBL6158537 | 0.80 | HCRTR2 (0.50) | KMT2AGAACCR8ADAM17HCRTR1 | |
| SCHEMBL6158601 | 0.79 | ALDH1A1 (0.48) | ALDH1A1NPSR1KMT2ATDP1GAA | |
| SCHEMBL6158988 | 0.79 | ALDH1A1 (0.53) | ALDH1A1NPSR1KMT2ATDP1GAA | |
| SCHEMBL6157032 | 0.78 | ALDH1A1 (0.54) | ALDH1A1NPSR1KMT2ATDP1GAA | |
| SCHEMBL6158480 | 0.76 | ALDH1A1 (0.47) | ALDH1A1NPSR1KMT2ATDP1GAA | |
| SCHEMBL6159352 | 0.74 | HCRTR2 (0.48) | ALDH1A1KMT2AGAACCR8ADAM17 | |
| SCHEMBL6159078 | 0.71 | MEN1 (0.45) | ALDH1A1KMT2AHPGDLMNAHCRTR1 | |
| SCHEMBL6164828 | 0.71 | MT-CO2 (0.53) | ALDH1A1KMT2AGAAHPGDHSD17B10 | |
| SCHEMBL6158680 | 0.71 | HCRTR1 (0.46) | ALDH1A1NPSR1HCRTR1HCRTR2 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1357123-B1 | Novel carbapenem, medical and antibacterial comprisisng the same, and uses thereof | SUMITOMO PHARMA (JP) | 2005-11-30 | — | — | EP | disclosed |
| US-6953789-B2 | Thiol compounds, their production and use | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2005-10-11 | — | — | US | disclosed |
| US-20040157894-A1 | Thiol compounds, their production and use | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2004-08-12 | — | — | US | disclosed |
| US-6699881-B2 | MATRIX METALLOPROTEASE INHIBITORS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2004-03-02 | — | — | US | disclosed |
| US-20030078253-A1 | Thiol compounds, their production and use | TAKEDA PHARMACEUTICAL COMPANY, LIMITED (JP) | 2003-04-24 | — | — | US | disclosed |
| US-6420415-B1 | Thiol compounds, their production and use | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2002-07-16 | — | — | US | disclosed |
| EP-1132379-A1 | NOVEL THIOL DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND UTILIZATION THEREOF | Takeda Chemical Industries, Ltd. (JP) | 2001-09-12 | — | — | EP | 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 (2 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-20030078253-A1 | Thiol compounds, their production and use | TST, QSOX1, SULT1E1 | ALDH1A1 905/4885NPSR1 1036/4885KMT2A 1898/4885 |
| US-20040157894-A1 | Thiol compounds, their production and use | TST, SULT1E1, QSOX1 | ALDH1A1 877/4885NPSR1 1120/4885KMT2A 1850/4885 |
“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.