Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.36 |
| ▸ | PIP4K2A | P48426 | 3/20 | 0.36 |
| ▸ | PIP4K2B | P78356 | 3/20 | 0.36 |
| ▸ | PIP4K2C | Q8TBX8 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | BRD4 | O60885 | 2/20 | 0.35 |
| ▸ | KIT | P10721 | 2/20 | 0.35 |
| ▸ | MAP2K4 | P45985 | 1/20 | 0.35 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | IKBKB | O14920 | 1/20 | 0.34 |
| ▸ | CHUK | O15111 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1702792 | 0.85 | CYP3A4 (0.45) | CYP3A4NR1H2PIP4K2APIP4K2BPIP4K2C | |
| SCHEMBL16508267 | 0.84 | NPC1 (0.41) | CYP3A4PIP4K2APIP4K2BPIP4K2CKDM4E | |
| SCHEMBL16508271 | 0.78 | CYP3A4 (0.46) | CYP3A4PIP4K2APIP4K2BPIP4K2CKDM4E | |
| SCHEMBL16508276 | 0.76 | MET (0.40) | CYP3A4BRD4 | |
| SCHEMBL16508269 | 0.76 | ALOX5AP (0.45) | CYP3A4KIT | |
| SCHEMBL15188916 | 0.71 | CYP3A4 (0.49) | CYP3A4PIP4K2APIP4K2BPIP4K2CKDM4E | |
| SCHEMBL16508295 | 0.70 | CYP3A4 (0.49) | CYP3A4PIP4K2APIP4K2BPIP4K2C | |
| SCHEMBL16508299 | 0.70 | CYP3A4 (0.49) | CYP3A4PIP4K2APIP4K2BPIP4K2CKDM4E | |
| SCHEMBL1702674 | 0.69 | CYP3A4 (0.45) | CYP3A4PIP4K2APIP4K2BPIP4K2CKDM4E | |
| SCHEMBL16508293 | 0.67 | TDO2 (0.42) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110300103-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | ROCHE PALO ALTO LLC (US) | 2011-12-08 | — | — | 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-20110300103-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | EIF2AK2, ZC3HAV1, IRF3 | CYP3A4 55/4885NR1H2 222/4885PIP4K2A 2698/4885 |
“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.