Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.56 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.56 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.54 |
| ▸ | IDO1 | P14902 | 1/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.46 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.46 |
| ▸ | BACE1 | P56817 | 1/20 | 0.46 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.44 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.44 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.43 |
| ▸ | ALPL | P05186 | 2/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28318285 | 0.88 | CYP2A6 (0.61) | HSP90AA1HSP90AB1CYP2A6ADORA2AADORA1 | |
| SCHEMBL30749488 | 0.81 | CCR1 (0.62) | HSP90AA1CYP2A6ALPLCYP19A1HPGD | |
| SCHEMBL9762462 | 0.81 | CYP2A6 (0.70) | HSP90AA1HSP90AB1CYP2A6BACE1TRPA1 | |
| SCHEMBL16150268 | 0.80 | CYP2A6 (0.56) | HSP90AA1HSP90AB1CYP2A6BACE1TRPA1 | |
| SCHEMBL29287261 | 0.79 | PTGS2 (0.46) | HSP90AA1HSP90AB1CYP2A6IDO1ADORA2A | |
| SCHEMBL14529286 | 0.77 | ADORA2A (0.56) | HSP90AA1HSP90AB1CYP2A6ADORA2AADORA1 | |
| SCHEMBL17413558 | 0.77 | MAOB (0.44) | HSP90AA1HSP90AB1CYP2A6IDO1ADORA2A | |
| SCHEMBL7702897 | 0.77 | BACE1 (0.57) | HSP90AA1HSP90AB1CYP2A6ADORA2AADORA1 | |
| SCHEMBL19537421 | 0.77 | CYP2A6 (0.52) | HSP90AA1HSP90AB1CYP2A6BACE1TRPA1 | |
| SCHEMBL22582681 | 0.76 | KMT2A (0.57) | HSP90AA1HSP90AB1CYP2A6ADORA2AADORA1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11024815-B2 | Metal complexes | MERCK PATENT GMBH (DE) | 2021-06-01 | — | — | US | disclosed |
| EP-3254317-B1 | METAL COMPLEXES | MERCK PATENT GMBH (DE) | 2019-07-31 | — | — | EP | disclosed |
| US-20180026209-A1 | Metal Complexes | MERCK PATENT GMBH (DE) | 2018-01-25 | — | — | US | disclosed |
| US-20180026209-A1 | Metal Complexes | MERCK PATENT GMBH (DE) | 2018-01-25 | — | — | 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-11024815-B2 | Metal complexes | EXOC4, EXOC3, TIMCC | HSP90AA1 4412/4885HSP90AB1 4590/4885CYP2A6 3821/4885 |
| US-20180026209-A1 | Metal Complexes | AP3M1, AP2M1, SOD1 | HSP90AA1 4143/4885HSP90AB1 4509/4885CYP2A6 4002/4885 |
“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.