Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | RXRA | P19793 | 5/20 | 0.39 |
| ▸ | RXRB | P28702 | 5/20 | 0.39 |
| ▸ | RXRG | P48443 | 3/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.38 |
| ▸ | DRD1 | P21728 | 2/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3556493 | 0.80 | CYP2D6 (0.42) | CYP2D6CYP2C19RXRARXRBRXRG | |
| SCHEMBL231127 | 0.78 | CYP2D6 (0.57) | CYP2D6CYP2C19TDP1CHRM2ADRA2A | |
| SCHEMBL5097591 | 0.78 | RXRA (0.53) | RXRARXRBRXRGTDP1KDM4E | |
| Hydrochloric Acid SCHEMBL6775520 | 0.76 | CYP2D6 (0.55) | CYP2D6CYP2C19CHRM2ADRA2ADRD1 | |
| Methane SCHEMBL28533749 | 0.76 | CYP2D6 (0.55) | CYP2D6CYP2C19CHRM2ADRA2ADRD1 | |
| SCHEMBL4904986 | 0.75 | CYP2D6 (0.50) | CYP2D6CYP2C19TDP1CHRM2ADRA2A | |
| SCHEMBL3554145 | 0.75 | KMT2A (0.44) | CYP2D6CYP2C19CYP1A2TSHRKDM4E | |
| SCHEMBL4608354 | 0.75 | POLB (0.46) | RXRARXRBRXRGTDP1KDM4E | |
| SCHEMBL25687569 | 0.73 | CYP2D6 (0.42) | CYP2D6CYP2C19TDP1CHRM2ADRA2A | |
| SCHEMBL3552219 | 0.72 | RXRA (0.40) | RXRARXRBRXRGMEN1KMT2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7696204-B2 | Pharmaceutical compounds | LUDWIG INSTITUTE FOR CANCER RESEARCH (CH) | 2010-04-13 | — | — | US | disclosed |
| US-20090156601-A1 | PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF CANCER | F. HOFFMANN-LA ROCHE AG (CH) | 2009-06-18 | — | — | US | disclosed |
| US-20090042884-A1 | Pharmaceutical Compounds | F.HOFFMANN-LA ROCHE AG (CH) | 2009-02-12 | — | — | US | 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 (2 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-20090042884-A1 | Pharmaceutical Compounds | PIK3CA, JAK1, PIK3R1 | CYP2D6 874/4885CYP2C19 347/4885RXRA 1143/4885 |
| US-20090156601-A1 | PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF CANCER | NR3C1, NR4A3, NR4A1 | CYP2D6 193/4885CYP2C19 1589/4885RXRA 166/4885 |
“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.