Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | DRD4 | P21917 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 4/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.46 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.46 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.46 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.46 |
| ▸ | DRD3 | P35462 | 2/20 | 0.46 |
| ▸ | HTR2B | P41595 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.46 |
| ▸ | MLNR | O43193 | 1/20 | 0.46 |
| ▸ | NR1I2 | O75469 | 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 | |
|---|---|---|---|---|
| SCHEMBL1777934 | 0.91 | ALDH1A1 (0.57) | ALDH1A1DRD4MEN1KMT2AKCNH2 | |
| Hydrochloric Acid SCHEMBL8554173 | 0.88 | ALDH1A1 (0.55) | ALDH1A1DRD4MEN1KMT2AKCNH2 | |
| SCHEMBL9031046 | 0.82 | DRD4 (0.60) | ALDH1A1DRD4MEN1KMT2ALMNA | |
| SCHEMBL2327539 | 0.80 | ALDH1A1 (0.64) | ALDH1A1DRD4MEN1KMT2AKCNH2 | |
| SCHEMBL4034304 | 0.80 | TP53 (0.56) | ALDH1A1MEN1KMT2AKCNH2CYP1A2 | |
| Pyrrocaine SCHEMBL25718 | 0.78 | MEN1 (0.70) | ALDH1A1DRD4MEN1KMT2AKCNH2 | |
| SCHEMBL6343148 | 0.77 | ALDH1A1 (0.52) | ALDH1A1DRD4MEN1KMT2AKCNH2 | |
| SCHEMBL7288776 | 0.77 | POLB (0.74) | ALDH1A1MEN1KMT2ALMNACHRM3 | |
| SCHEMBL9031042 | 0.77 | ALDH1A1 (0.49) | ALDH1A1DRD4MEN1KMT2AKCNH2 | |
| Pyrrocaine SCHEMBL10757216 | 0.76 | MEN1 (0.68) | ALDH1A1DRD4MEN1KMT2AKCNH2 |
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-7943620-B2 | Anti-anginal compounds | CONCERT PHARMACEUTICALS, INC. (US) | 2011-05-17 | — | — | US | disclosed |
| EP-2139877-B1 | DEUTERATED PIPERAZINE DERIVATIVES AS ANTI-ANGINAL COMPOUNDS | CONCERT PHARMACEUTICALS INC (US) | 2011-05-11 | — | — | EP | disclosed |
| EP-2139877-A1 | DEUTERATED PIPERAZINE DERIVATIVES AS ANTI-ANGINAL COMPOUNDS | Concert Pharmaceuticals Inc. (US) | 2010-01-06 | — | — | EP | disclosed |
| US-20080318969-A1 | Anti-anginal compounds | SUN PHARMACEUTICAL INDUSTRIES, INC. | 2008-12-25 | — | — | US | disclosed |
| WO-2008109175-A1 | DEUTERATED PIPERAZINE DERIVATIVES AS ANTI-ANGINAL COMPOUNDS | CONCERT PHARMACEUTICALS, INC. (US) | 2008-09-12 | — | — | 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 (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-20080318969-A1 | Anti-anginal compounds | SQLE, ACSL5, ACSL1 | ALDH1A1 523/4885DRD4 2497/4885MEN1 4837/4885 |
“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.