Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
| ▸ | JAK2 | O60674 | 2/20 | 0.36 |
| ▸ | JAK3 | P52333 | 2/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 4/20 | 0.36 |
| ▸ | HSP90B1 | P14625 | 2/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2249599 | 0.82 | NPC1 (0.36) | NPC1RAB9AESR1ESR2JAK2 | |
| SCHEMBL13003704 | 0.81 | HSP90AA1 (0.44) | NPC1RAB9AESR1ESR2JAK2 | |
| SCHEMBL2181393 | 0.80 | ESR1 (0.41) | NPC1RAB9AESR1ESR2JAK2 | |
| SCHEMBL720364 | 0.80 | ESR1 (0.48) | NPC1RAB9AESR1ESR2JAK2 | |
| SCHEMBL2249696 | 0.80 | PDGFRB (0.47) | NPC1RAB9AESR1ESR2 | |
| SCHEMBL2246755 | 0.80 | ESR1 (0.41) | NPC1RAB9AESR1ESR2JAK2 | |
| SCHEMBL720663 | 0.78 | HSP90AA1 (0.46) | NPC1RAB9AESR1ESR2JAK2 | |
| SCHEMBL2243486 | 0.78 | NPC1 (0.40) | NPC1RAB9AESR1ESR2JAK2 | |
| SCHEMBL2243603 | 0.78 | NPC1 (0.40) | NPC1RAB9AESR1ESR2JAK2 | |
| SCHEMBL2246205 | 0.77 | ESR1 (0.42) | NPC1RAB9AESR1ESR2JAK2 |
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-8293729-B2 | Compounds, pharmaceutical composition and methods relating thereto | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-10-23 | — | — | US | disclosed |
| US-20110166116-A1 | NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-07-07 | — | — | 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-20110166116-A1 | NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO | MC2R, REN, CYP11B2 | NPC1 40/4885RAB9A 1068/4885ESR1 3005/4885 |
“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.