Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.58 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.58 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.58 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.58 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.58 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.58 |
| ▸ | DRD3 | P35462 | 2/20 | 0.58 |
| ▸ | HTR2B | P41595 | 2/20 | 0.58 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.58 |
| ▸ | TSHR | P16473 | 2/20 | 0.58 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.58 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.58 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.58 |
| ▸ | LMNA | P02545 | 3/20 | 0.57 |
| ▸ | BLM | P54132 | 1/20 | 0.57 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.57 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 3/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL7077882 | 0.87 | CYP3A4 (0.61) | CYP3A4CYP2D6ADRB1ADRA2AADRA2B | |
| SCHEMBL12598795 | 0.86 | CYP3A4 (0.70) | CYP3A4CYP2D6ADRB1ADRA2AADRA2B | |
| SCHEMBL3826711 | 0.82 | CYP3A4 (0.65) | CYP3A4CYP2D6ADRB1ADRA2AADRA2B | |
| SCHEMBL2327539 | 0.79 | ALDH1A1 (0.64) | CYP3A4CYP2D6ADRB1ADRA2AADRA2B | |
| SCHEMBL6286482 | 0.79 | CYP3A4 (0.64) | CYP3A4CYP2D6ADRB1ADRA2AADRA2B | |
| SCHEMBL7288731 | 0.78 | CYP3A4 (0.73) | CYP3A4CYP2D6ADRB1ADRA2AADRA2B | |
| SCHEMBL7288283 | 0.78 | CYP3A4 (0.76) | CYP3A4CYP2D6ADRB1ADRA2AADRA2B | |
| SCHEMBL7283533 | 0.78 | CYP3A4 (0.76) | CYP3A4CYP2D6ADRB1ADRA2AADRA2B | |
| SCHEMBL2096761 | 0.78 | MEN1 (0.73) | CYP3A4CYP2D6ADRB1ADRA2AADRA2B | |
| SCHEMBL22407740 | 0.78 | MEN1 (0.73) | CYP3A4CYP2D6ADRB1ADRA2AADRA2B |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20070155728-A1 | Substituted Heterocyclic Compounds | PALLE VENKATA | 2007-07-05 | — | — | US | claimed |
| US-7205303-B2 | Substituted heterocyclic compounds | CV THERAPEUTICS, INC. (US) | 2007-04-17 | — | — | US | claimed |
| EP-1578737-A1 | SUBSTITUTED HETEROCYCLIC COMPOUNDS | CV THERAPEUTICS, INC. (US) | 2005-09-28 | — | — | EP | claimed |
| US-20040176356-A1 | Substituted heterocyclic compounds | CV THERAPEUTICS, INC. | 2004-09-09 | — | — | US | claimed |
| WO-2004063180-A1 | SUBSTITUTED HETEROCYCLIC COMPOUNDS | CV THERAPEUTICS, INC. (US) | 2004-07-29 | — | — | WO | claimed |
| US-7566717-B2 | Substituted heterocyclic compounds | GILEAD SCIENCES, INC. (US) | 2009-07-28 | — | — | US | disclosed |
| US-20080275238-A1 | SUBSTITUTED HETEROCYCLIC COMPOUNDS | PALLE VENKATA | 2008-11-06 | — | — | US | disclosed |
| US-20070155728-A1 | Substituted Heterocyclic Compounds | PALLE VENKATA | 2007-07-05 | — | — | US | disclosed |
| US-7205303-B2 | Substituted heterocyclic compounds | CV THERAPEUTICS, INC. (US) | 2007-04-17 | — | — | US | disclosed |
| EP-1578737-A1 | SUBSTITUTED HETEROCYCLIC COMPOUNDS | CV THERAPEUTICS, INC. (US) | 2005-09-28 | — | — | EP | disclosed |
| US-20040176356-A1 | Substituted heterocyclic compounds | CV THERAPEUTICS, INC. | 2004-09-09 | — | — | US | disclosed |
| WO-2004063180-A1 | SUBSTITUTED HETEROCYCLIC COMPOUNDS | CV THERAPEUTICS, INC. (US) | 2004-07-29 | — | — | 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-20040176356-A1 | Substituted heterocyclic compounds | KCNH1, KCNJ2, SCN5A | CYP3A4 1273/4885CYP2D6 563/4885ADRB1 332/4885 |
| US-20080275238-A1 | SUBSTITUTED HETEROCYCLIC COMPOUNDS | KCNH1, SDHA, COQ8A | CYP3A4 598/4885CYP2D6 238/4885ADRB1 478/4885 |
| US-20070155728-A1 | Substituted Heterocyclic Compounds | KCNH1, SDHA, COQ8A | CYP3A4 598/4885CYP2D6 238/4885ADRB1 478/4885 |
“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.