Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 6/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.56 |
| ▸ | CYP11B1 | P15538 | 4/20 | 0.56 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.51 |
| ▸ | RELA | Q04206 | 4/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | THRB | P10828 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | DHFR | P00374 | 1/20 | 0.47 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.46 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL6361648 | 0.87 | CYP3A4 (0.52) | CYP3A4CYP1A2CYP2C9CYP11B1CYP11B2 | |
| SCHEMBL6361869 | 0.85 | ESR1 (0.47) | CYP3A4CYP1A2CYP2C9CYP11B1CYP11B2 | |
| SCHEMBL27185971 | 0.85 | ALDH1A1 (0.67) | CYP3A4CYP1A2CYP2C9CYP11B1CYP11B2 | |
| SCHEMBL30839731 | 0.85 | ALDH1A1 (0.67) | CYP3A4CYP1A2CYP2C9CYP11B1CYP11B2 | |
| SCHEMBL6361029 | 0.82 | KIT (0.48) | CYP3A4CYP1A2CYP2C9CYP11B1CYP11B2 | |
| SCHEMBL225282 | 0.79 | CYP11B1 (0.58) | CYP3A4CYP1A2CYP2C9CYP11B1CYP11B2 | |
| SCHEMBL6361091 | 0.78 | ESR1 (0.49) | CYP3A4CYP1A2CYP2C9CYP11B1CYP11B2 | |
| SCHEMBL3010814 | 0.78 | ALDH1A1 (0.71) | CYP3A4CYP1A2CYP2C9CYP11B1CYP11B2 | |
| SCHEMBL3789140 | 0.78 | TDP1 (0.56) | CYP3A4CYP1A2CYP2C9CYP11B1CYP11B2 | |
| Hydrochloric Acid SCHEMBL3009585 | 0.77 | ALDH1A1 (0.70) | CYP3A4CYP1A2CYP2C9CYP11B1CYP11B2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050009830-A1 | Heterocyclic cytotoxic agents | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY. | 2005-01-13 | — | — | US | disclosed |
| US-6740650-B2 | SUCH AS 2,3-DIMETHOXY-DIBENZO(C,H)CINNOLINE FOR TREATMENT OF CANCER; FUNGICIDES | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY | 2004-05-25 | — | — | US | disclosed |
| US-20030100560-A1 | Heterocyclic cytotoxic agents | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY | 2003-05-29 | — | — | US | disclosed |
| EP-1228045-A2 | HETEROCYCLIC CYTOTOXIC AGENTS | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2002-08-07 | — | — | EP | disclosed |
| WO-2001032631-A2 | HETEROCYCLIC CYTOTOXIC AGENTS | RUTGERS, THE STATE UNIVERSITY OF NEW JEREY (US) | 2001-05-10 | — | — | 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 (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-20050009830-A1 | Heterocyclic cytotoxic agents | CCNE1, RB1, CCNA1 | CYP3A4 885/4885CYP1A2 420/4885CYP2C9 500/4885 |
| US-20030100560-A1 | Heterocyclic cytotoxic agents | CCNA1, CCNE1, MCL1 | CYP3A4 597/4885CYP1A2 206/4885CYP2C9 301/4885 |
“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.