Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | DRD1 | P21728 | 2/20 | 0.41 |
| ▸ | ESR1 | P03372 | 2/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.37 |
| ▸ | TOP1 | P11387 | 2/20 | 0.35 |
| ▸ | TTR | P02766 | 1/20 | 0.34 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
| ▸ | CASP3 | P42574 | 1/20 | 0.31 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.31 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.31 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.31 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.31 |
| ▸ | NOS3 | P29474 | 1/20 | 0.30 |
| ▸ | NOS2 | P35228 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1768566 | 0.88 | CYP3A4 (0.39) | CYP3A4TDP1DRD1ESR1ESR2 | |
| SCHEMBL29005861 | 0.84 | CYP3A4 (0.52) | CYP3A4TDP1DRD1ESR1ESR2 | |
| SCHEMBL29593649 | 0.84 | CYP3A4 (0.58) | CYP3A4TDP1DRD1ESR1ESR2 | |
| SCHEMBL10797329 | 0.79 | CYP3A4 (0.52) | CYP3A4TDP1DRD1ESR1ESR2 | |
| SCHEMBL10700827 | 0.77 | CYP3A4 (0.50) | CYP3A4TDP1DRD1ESR1ESR2 | |
| SCHEMBL1768448 | 0.76 | CYP3A4 (0.48) | CYP3A4TDP1DRD1ESR1ESR2 | |
| SCHEMBL150139 | 0.75 | TDP1 (0.69) | CYP3A4TDP1DRD1ESR1ESR2 | |
| Acetic Acid SCHEMBL30620655 | 0.75 | CES2 (0.41) | CYP3A4TDP1DRD1ESR1ESR2 | |
| SCHEMBL301645 | 0.74 | TDP1 (0.46) | CYP3A4TDP1DRD1ESR1ESR2 | |
| SCHEMBL3934481 | 0.74 | ESR1 (0.46) | CYP3A4TDP1DRD1ESR1ESR2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170173572-A1 | CHIRAL LIGAND-BASED METAL-ORGANIC FRAMEWORKS FOR BROAD-SCOPE ASYMMETRIC CATALYSIS | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2017-06-22 | — | — | US | disclosed |
| US-20170173572-A1 | CHIRAL LIGAND-BASED METAL-ORGANIC FRAMEWORKS FOR BROAD-SCOPE ASYMMETRIC CATALYSIS | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2017-06-22 | — | — | 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 (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-20170173572-A1 | CHIRAL LIGAND-BASED METAL-ORGANIC FRAMEWORKS FOR BROAD-SCOPE ASYMMETRIC CATALYSIS | POF1B, FGFR1, COASY | CYP3A4 1057/4885TDP1 4780/4885DRD1 2153/4885 |
“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.