Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 5/20 | 0.43 |
| ▸ | DRD2 | P14416 | 4/20 | 0.43 |
| ▸ | HTR2A | P28223 | 4/20 | 0.43 |
| ▸ | HTR2C | P28335 | 4/20 | 0.43 |
| ▸ | HTR2B | P41595 | 4/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | XDH | P47989 | 2/20 | 0.40 |
| ▸ | ULK1 | O75385 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6753336 | 0.83 | KDM4E (0.47) | HTR1ADRD2CYP1A2KDM4EALDH1A1 | |
| SCHEMBL5564132 | 0.77 | HTR1A (0.51) | HTR1ADRD2HTR2AHTR2CHTR2B | |
| SCHEMBL13210002 | 0.77 | HTR1A (0.51) | HTR1ADRD2HTR2AHTR2CHTR2B | |
| SCHEMBL888365 | 0.75 | CYP1A2 (0.41) | HTR1ADRD2HTR2AHTR2CHTR2B | |
| SCHEMBL3606511 | 0.73 | RAB9A (0.50) | CYP1A2XDHULK1NPC1RAB9A | |
| SCHEMBL12388679 | 0.71 | HTR1A (0.43) | HTR1ADRD2HTR2AHTR2CHTR2B | |
| SCHEMBL6332160 | 0.71 | XDH (0.38) | HTR1ADRD2HTR2AHTR2CHTR2B | |
| SCHEMBL16149603 | 0.71 | RAB9A (0.48) | CYP1A2XDHULK1NPC1RAB9A | |
| SCHEMBL19332468 | 0.71 | RAB9A (0.48) | CYP1A2XDHULK1NPC1RAB9A | |
| SCHEMBL533320 | 0.69 | KDM4E (0.46) | CYP1A2XDHULK1KDM4EALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050032860-A1 | CBI analogs of CC-1065 and the duocarmycins | THE SCRIPPS RESEARCH INSTITUTE (US) | 2005-02-10 | — | — | US | disclosed |
| US-6548530-B1 | Antitumor drugs incorporate the 1,2,9,9a-tetrahydrocyclopropa(c)benz(e)indol-4-one (CBI) alkylation subunit; cytotoxic activity | THE SCRIPPS RESEARCH INSTITUTE | 2003-04-15 | — | — | 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-20050032860-A1 | CBI analogs of CC-1065 and the duocarmycins | DBI, CCNI, DCK | HTR1A 3101/4885DRD2 1693/4885HTR2A 2852/4885 |
“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.