Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.47 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.47 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.46 |
| ▸ | P2RX3 | P56373 | 2/20 | 0.45 |
| ▸ | FYN | P06241 | 2/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.43 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.43 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.42 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.42 |
| ▸ | NNMT | P40261 | 1/20 | 0.41 |
| ▸ | ERN1 | O75460 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL31174412 | 0.77 | CYP2A6 (0.68) | CYP19A1MKNK1MKNK2CYP2A6FYN | |
| SCHEMBL3754419 | 0.77 | CYP2A6 (0.68) | CYP19A1MKNK1MKNK2CYP2A6FYN | |
| SCHEMBL2726056 | 0.77 | CYP1A2 (0.47) | NPC1RAB9ACYP19A1CYP1A2CYP2D6 | |
| SCHEMBL4317162 | 0.76 | MKNK1 (0.47) | CYP19A1MKNK1MKNK2CYP2A6FYN | |
| SCHEMBL24921545 | 0.76 | MKNK1 (0.47) | CYP19A1MKNK1MKNK2CYP2A6FYN | |
| SCHEMBL17644086 | 0.74 | NPC1 (0.72) | NPC1RAB9ACYP19A1CYP1A2CYP2D6 | |
| SCHEMBL30685984 | 0.73 | KCNH2 (0.47) | NPC1RAB9ACYP19A1MKNK1MKNK2 | |
| SCHEMBL30473743 | 0.73 | PIK3CD (0.46) | NPC1RAB9ACYP19A1MKNK1MKNK2 | |
| SCHEMBL25344353 | 0.73 | PIK3CD (0.46) | NPC1RAB9ACYP19A1MKNK1MKNK2 | |
| SCHEMBL2844671 | 0.72 | — | — |
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-20220127254-A1 | INDAZOLYL-ISOXAZOLE DERIVATIVES FOR THE TREATMENT OF DISEASES SUCH AS CANCER | MERCK PATENT GMBH (DE) | 2022-04-28 | — | — | US | claimed |
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-20220127254-A1 | INDAZOLYL-ISOXAZOLE DERIVATIVES FOR THE TREATMENT OF DISEASES SUCH AS CANCER | KIT, TNNI3K, CILK1 | NPC1 2038/4885RAB9A 2229/4885CYP19A1 437/4885 |
“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.