Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | GMNN | O75496 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | APEX1 | P27695 | 1/20 | 0.42 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL27259345 | 1.00 | CYP1A2 (0.43) | CYP1A2GAACYP2C9PKMCYP2C19 | |
| SCHEMBL10838863 | 0.91 | CYP1A2 (0.43) | CYP1A2GAACYP2C9PKMCYP2C19 | |
| Hydrochloric Acid SCHEMBL10947196 | 0.90 | CYP1A2 (0.43) | CYP1A2GAACYP2C9PKMCYP2C19 | |
| SCHEMBL27259406 | 0.86 | TDP1 (0.48) | CYP1A2GAACYP2C9PKMCYP2C19 | |
| SCHEMBL13316457 | 0.86 | TDP1 (0.48) | CYP1A2GAACYP2C9PKMCYP2C19 | |
| SCHEMBL3886045 | 0.86 | AKR1C3 (0.47) | CYP1A2GAACYP2C9PKMCYP2C19 | |
| SCHEMBL3573474 | 0.85 | CYP1A2 (0.57) | CYP1A2GAACYP2C9PKMCYP2C19 | |
| SCHEMBL3887207 | 0.85 | CYP1A2 (0.57) | CYP1A2GAACYP2C9PKMCYP2C19 | |
| SCHEMBL3890768 | 0.85 | CYSLTR2 (0.44) | CYP1A2GAACYP2C9PKMCYP2C19 | |
| SCHEMBL29711483 | 0.85 | CYSLTR2 (0.44) | CYP1A2GAACYP2C9PKMCYP2C19 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7507749-B2 | Antitumor agents | WAYNE STATE UNIVERSITY (US) | 2009-03-24 | — | — | US | disclosed |
| US-20070232643-A1 | Quinoline derivative, e.g. 2[4-(7-chloroquinolin-2-yloxy)phenoxy]propionic acid sodium salt; anticarcinogenic, antitumor agent; colon, breast, melanoma, pancreatic cancer or adenocarcinoma; melanoma, or leukemia; based on herbicides | WAYNE STATE UNIVERSITY | 2007-10-04 | — | — | US | disclosed |
| US-7241894-B2 | Antitumor agents | WAYNE STATE UNIVERSITY (US) | 2007-07-10 | — | — | US | disclosed |
| US-20050159447-A1 | Antitumor agents | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2005-07-21 | — | — | US | disclosed |
| US-6867219-B2 | Antitumor agents | WAYNE STATE UNIVERSITY (US) | 2005-03-15 | — | — | US | disclosed |
| EP-1412332-B1 | QUINOLINE DERIVATIVES AND USE THEREOF AS ANTITUMOR AGENTS | UNIV WAYNE STATE (US) | 2005-01-19 | — | — | EP | disclosed |
| EP-1412332-A1 | QUINOLINE DERIVATIVES AND USE THEREOF AS ANTITUMOR AGENTS | WAYNE STATE UNIVERSITY (US) | 2004-04-28 | — | — | EP | disclosed |
| US-20030144321-A1 | Antitumor agents | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2003-07-31 | — | — | US | disclosed |
| WO-2003011832-A1 | QUINOLINE DERIVATIVES AND USE THEREOF AS ANTITUMOR AGENTS | WAYNE STATE UNIVERSITY (US) | 2003-02-13 | — | — | 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 (3 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-20070232643-A1 | Quinoline derivative, e.g. 2[4-(7-chloroquinolin-2-yloxy)phenoxy]propionic acid sodium salt; anticarcinogenic, antitumor agent; colon, breast, melanoma, pancreatic cancer or adenocarcinoma; melanoma, or leukemia; based on herbicides | NRAS, KRAS, BRAF | CYP1A2 1414/4885GAA 561/4885CYP2C9 2889/4885 |
| US-20030144321-A1 | Antitumor agents | MCL1, FLI1, MGMT | CYP1A2 3119/4885GAA 3187/4885CYP2C9 3215/4885 |
| US-20050159447-A1 | Antitumor agents | MGMT, TP53, MCL1 | CYP1A2 3146/4885GAA 3001/4885CYP2C9 3149/4885 |
“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.