Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.52 |
| ▸ | MEN1 | O00255 | 4/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.52 |
| ▸ | APAF1 | O14727 | 1/20 | 0.52 |
| ▸ | GRM4 | Q14833 | 4/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | GAA | P10253 | 2/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | SYK | P43405 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL31721180 | 0.86 | SYK (0.56) | ALDH1A1MEN1KMT2AAPAF1GRM4 | |
| SCHEMBL10610427 | 0.84 | CYP3A4 (0.42) | ALDH1A1MEN1KMT2AGRM4MAPT | |
| SCHEMBL4034223 | 0.81 | GRM4 (0.51) | ALDH1A1MEN1KMT2AGRM4MAPT | |
| SCHEMBL9635890 | 0.81 | CYP3A4 (0.38) | ALDH1A1MEN1KMT2AAPAF1GRM4 | |
| SCHEMBL1964539 | 0.80 | CYP3A4 (0.56) | ALDH1A1MEN1KMT2AMAPTGAA | |
| SCHEMBL4797458 | 0.79 | ADORA2A (0.43) | ALDH1A1MEN1KMT2AGRM4MAPT | |
| SCHEMBL6949228 | 0.79 | ALDH1A1 (0.59) | ALDH1A1MEN1KMT2AGRM4MAPT | |
| SCHEMBL18921106 | 0.79 | MEN1 (0.52) | ALDH1A1MEN1KMT2AAPAF1GRM4 | |
| SCHEMBL2530424 | 0.77 | KDM4E (0.53) | ALDH1A1MEN1KMT2AAPAF1MAPT | |
| SCHEMBL31721271 | 0.77 | MEN1 (0.50) | ALDH1A1MEN1KMT2AAPAF1MAPT |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8586617-B2 | Aminomethyl-4-imidazoles | HOFFMANN-LA ROCHE INC. (US) | 2013-11-19 | — | — | US | disclosed |
| EP-2076497-B1 | AMINOMETHYL-4-IMIDAZOLES | HOFFMANN LA ROCHE (CH) | 2012-02-22 | — | — | EP | disclosed |
| EP-2076497-A1 | AMINOMETHYL-4-IMIDAZOLES | F. Hoffmann-Roche AG (CH) | 2009-07-08 | — | — | EP | disclosed |
| EP-1263720-B1 | AZETIDINE DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME | AVENTIS PHARMA SA (FR) | 2009-06-03 | — | — | EP | disclosed |
| EP-1444210-B1 | QUNAZOLINE DERIVATIVES AS ANTITUMOR AGENTS | ASTRAZENECA AB (SE) | 2009-02-18 | — | — | EP | disclosed |
| US-20080119535-A1 | AMINOMETHYL-4-IMIDAZOLES | F. HOFFMANN-LA ROCHE AG (CH) | 2008-05-22 | — | — | US | disclosed |
| WO-2008046757-A1 | AMINOMETHYL-4-IMIDAZOLES | F. HOFFMANN-LA ROCHE AG (CH) | 2008-04-24 | — | — | WO | disclosed |
| US-20070082921-A1 | Quinazoline derivatives as antitumor agents | ASTRAZENECA AB | 2007-04-12 | — | — | US | disclosed |
| US-20050043336-A1 | Quinazoline derivatives as antitumor agents | ASTRAZENECA AB (SE) | 2005-02-24 | — | — | US | disclosed |
| EP-1444210-A1 | QUNAZOLINE DERIVATIVES AS ANTITUMOR AGENTS | AstraZeneca AB (SE) | 2004-08-11 | — | — | EP | disclosed |
| WO-2003040108-A1 | QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS | ASTRAZENECA AB (SE) | 2003-05-15 | — | — | 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-20050043336-A1 | Quinazoline derivatives as antitumor agents | ERBB2, ERBB3, ABL1 | ALDH1A1 3334/4885MEN1 1212/4885KMT2A 1693/4885 |
| US-20080119535-A1 | AMINOMETHYL-4-IMIDAZOLES | INMT, HTR4, MC4R | ALDH1A1 631/4885MEN1 941/4885KMT2A 282/4885 |
| US-20070082921-A1 | Quinazoline derivatives as antitumor agents | ERBB2, EGFR, ERBB4 | ALDH1A1 4094/4885MEN1 2352/4885KMT2A 1786/4885 |
“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.