Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 3/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.34 |
| ▸ | TET2 | Q6N021 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | TDO2 | P48775 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 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 | |
|---|---|---|---|---|
| SCHEMBL19221486 | 0.80 | SMN1; SMN2 (0.34) | ALDH1A1TSHRCYP3A4VCAM1MAPT | |
| SCHEMBL30612243 | 0.80 | TDP1 (0.44) | TDP1ATMALDH1A1HIF1ATSHR | |
| SCHEMBL21596680 | 0.80 | TDP1 (0.44) | TDP1ATMALDH1A1HIF1ATSHR | |
| SCHEMBL2083152 | 0.78 | ALDH1A1 (0.50) | TDP1ALDH1A1HIF1ATSHRCYP3A4 | |
| SCHEMBL7850448 | 0.77 | SMN1; SMN2 (0.54) | TDP1ATMALDH1A1TSHRCYP3A4 | |
| SCHEMBL30890603 | 0.77 | SMN1; SMN2 (0.54) | TDP1ATMALDH1A1TSHRCYP3A4 | |
| SCHEMBL16095369 | 0.77 | ERN1 (0.39) | TDP1ATMALDH1A1HIF1ATSHR | |
| SCHEMBL2711056 | 0.77 | TSHR (0.41) | TDP1ATMALDH1A1HIF1ATSHR | |
| SCHEMBL1721986 | 0.77 | ALDH1A1 (0.35) | ALDH1A1CYP3A4MAPTMEN1POLB | |
| SCHEMBL3991031 | 0.77 | HSP90AA1 (0.39) | TDP1ALDH1A1HIF1ATSHRMAPT |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2494975-A1 | Compounds and methods for promoting smoking cessation | Research Triangle Institute (US) | 2012-09-05 | — | — | EP | disclosed |
| EP-2404923-A1 | 7-azabicyclo[2.2.1]heptane derivatives useful for promoting smoking cessation | RESEARCH TRIANGLE INSTITUTE (US) | 2012-01-11 | — | — | EP | disclosed |
| US-20090318490-A1 | COMPOUNDS AND METHODS FOR PROMOTING SMOKING CESSATION | RESEARCH TRIANGLE INSITUTE (US) | 2009-12-24 | — | — | US | disclosed |
| US-7615567-B2 | Compounds and methods for promoting smoking cessation | RESEARCH TRIANGLE INSTITUTE (US) | 2009-11-10 | — | — | US | disclosed |
| US-20060069111-A1 | Compounds and methods for promoting smoking cessation | RESEARCH TRIANGLE INSITUTE (US) | 2006-03-30 | — | — | US | disclosed |
| EP-1351684-A4 | COMPOUNDS AND METHODS FOR PROMOTING SMOKING CESSATION | RES TRIANGLE INST (US) | 2005-01-19 | — | — | EP | disclosed |
| EP-1351684-A2 | COMPOUNDS AND METHODS FOR PROMOTING SMOKING CESSATION | Research Triangle Institute (US) | 2003-10-15 | — | — | EP | disclosed |
| US-20030176434-A1 | Compounds and methods for promoting smoking cessation | RESEARCH TRIANGLE INSITUTE | 2003-09-18 | — | — | US | disclosed |
| US-6538010-B1 | Compounds may be used to treat a variety of other conditions and disease states and reagents for preventing smoking addiction. The present invention also relates to methods and reagents for treating nicotine addiction. | RESEARCH TRIANGLE INSTITUTE | 2003-03-25 | — | — | US | disclosed |
| WO-2002037927-A2 | COMPOUNDS AND METHODS FOR PROMOTING SMOKING CESSATION | RESEARCH TRIANGLE INSTITUTE (US) | 2002-05-16 | — | — | 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-20060069111-A1 | Compounds and methods for promoting smoking cessation | BHMT2, CBS, NNMT | TDP1 3433/4885ATM 3306/4885ALDH1A1 622/4885 |
| US-20090318490-A1 | COMPOUNDS AND METHODS FOR PROMOTING SMOKING CESSATION | BHMT2, CBS, NNMT | TDP1 3433/4885ATM 3306/4885ALDH1A1 622/4885 |
| US-20030176434-A1 | Compounds and methods for promoting smoking cessation | BHMT2, CBS, NNMT | TDP1 3433/4885ATM 3306/4885ALDH1A1 622/4885 |
“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.