Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.51 |
| ▸ | CHRNB4 | P30926 | 3/20 | 0.51 |
| ▸ | CHRNA3 | P32297 | 3/20 | 0.51 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | GFER | P55789 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL3832557 | 0.86 | MAPT (0.60) | CYP2C19ALDH1A1TSHRHSD17B10KDM4E | |
| SCHEMBL3826668 | 0.84 | CYP3A4 (0.58) | CYP2C19ALDH1A1TSHRHSD17B10KDM4E | |
| SCHEMBL3826897 | 0.83 | MEN1 (0.55) | CYP2C19ALDH1A1TSHRHSD17B10KDM4E | |
| SCHEMBL3832519 | 0.83 | CYP2C19 (0.55) | CYP2C19ALDH1A1TSHRHSD17B10KDM4E | |
| SCHEMBL3831429 | 0.82 | LMNA (0.58) | CYP2C19ALDH1A1TSHRHSD17B10KDM4E | |
| SCHEMBL3831622 | 0.81 | ALDH1A1 (0.59) | CYP2C19ALDH1A1TSHRHSD17B10KDM4E | |
| SCHEMBL3828113 | 0.81 | MAPT (0.58) | CYP2C19ALDH1A1TSHRHSD17B10KDM4E | |
| SCHEMBL3831963 | 0.80 | ALDH1A1 (0.55) | CYP2C19ALDH1A1TSHRHSD17B10KDM4E | |
| SCHEMBL3831633 | 0.80 | MAPT (0.65) | CYP2C19ALDH1A1TSHRHSD17B10KDM4E | |
| SCHEMBL3829911 | 0.80 | POLB (0.52) | CYP2C19ALDH1A1TSHRHSD17B10KDM4E |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1578737-B1 | SUBSTITUTED HETEROCYCLIC COMPOUNDS | CV THERAPEUTICS INC (US) | 2009-09-16 | — | — | EP | disclosed |
| 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 | CYP2C19 529/4885ALDH1A1 215/4885TSHR 4124/4885 |
| US-20080275238-A1 | SUBSTITUTED HETEROCYCLIC COMPOUNDS | KCNH1, SDHA, COQ8A | CYP2C19 298/4885ALDH1A1 281/4885TSHR 3785/4885 |
| US-20070155728-A1 | Substituted Heterocyclic Compounds | KCNH1, SDHA, COQ8A | CYP2C19 298/4885ALDH1A1 281/4885TSHR 3785/4885 |
“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.