Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 1/20 | 0.36 |
| ▸ | P4HB | P07237 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | NR1H2 | P55055 | 8/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | NR1H3 | Q13133 | 8/20 | 0.34 |
| ▸ | GPR119 | Q8TDV5 | 3/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | BCHE | P06276 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | UCHL1 | P09936 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7647973 | 0.85 | P4HB (0.35) | KDM1AP4HBHSP90AA1NR1H2NR1H3 | |
| SCHEMBL6204644 | 0.76 | MET (0.34) | KDM1ANR1H2NR1H3 | |
| SCHEMBL6206384 | 0.76 | MET (0.34) | KDM1ANR1H2NR1H3 | |
| SCHEMBL8105803 | 0.76 | MET (0.34) | KDM1ANR1H2NR1H3 | |
| SCHEMBL30681235 | 0.72 | KDM1A (0.39) | KDM1AHDAC1HDAC6BCHE | |
| SCHEMBL18863855 | 0.72 | NR1H2 (0.35) | NR1H2NR1H3GPR119 | |
| SCHEMBL31088239 | 0.72 | NR1H2 (0.35) | NR1H2NR1H3GPR119 | |
| SCHEMBL3692403 | 0.71 | KDM1A (0.39) | KDM1AGPR119HDAC1HDAC6BCHE | |
| SCHEMBL30681319 | 0.70 | NOTUM (0.38) | KDM1ANR1H2GAAHDAC1HDAC6 | |
| SCHEMBL7220869 | 0.70 | PRKACA (0.41) | KDM1ANR1H2NR1H3GPR119HDAC1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6486326-B2 | DNA ALKYLATING COMPOUNDS SUCH AS 1-(TERT-BUTYLOXYCARBONYL) -4-HYDROXY-3(((METHANE-SULFONYL)OXY)METHYL)-2,3-DIHYDROINDOLE | THE SCRIPPS RESEARCH INSTITUTE | 2002-11-26 | — | — | US | disclosed |
| US-20020049335-A1 | iso-CBI and iso-CI analogs of CC-1065 duocarmycins | THE SCRIPPS RESEARCH INSTITUTE (US) | 2002-04-25 | — | — | US | disclosed |
| US-6262271-B1 | COMPOUNDS HAVING DNA ALKYLATION AND ANTITUMOR ANTIBIOTIC ACTIVITIES | THE SCRIPPS RESEARCH INSTITUTE | 2001-07-17 | — | — | 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 (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-20020049335-A1 | iso-CBI and iso-CI analogs of CC-1065 duocarmycins | DBI, CCNI, DCK | KDM1A 3609/4885P4HB 1345/4885HSP90AA1 2439/4885 |
“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.