Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.39 |
| ▸ | JAK1 | P23458 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.32 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.32 |
| ▸ | BACE1 | P56817 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA7 | P43166 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.31 |
| ▸ | NPC1 | O15118 | 2/20 | 0.31 |
| ▸ | RAB9A | P51151 | 2/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL308840 | 0.88 | BACE1 (0.30) | BACE1 | |
| SCHEMBL14703936 | 0.86 | ADORA1 (0.30) | ADORA1 | |
| SCHEMBL2458379 | 0.86 | QDPR (0.38) | ESR1ESR2ADORA1ALDH1A1SMN1; SMN2 | |
| SCHEMBL23123262 | 0.83 | PKM (0.36) | ESR1ESR2PKMALDH1A1TSHR | |
| SCHEMBL26614881 | 0.82 | NAMPT (0.36) | PKM | |
| SCHEMBL27209284 | 0.82 | KMT2A (0.34) | PKMALDH1A1TSHRKMT2AMAPT | |
| SCHEMBL8240830 | 0.81 | HPGD (0.41) | CA12CA1CA2CA7CA9 | |
| SCHEMBL212403 | 0.81 | PDK4 (0.46) | ESR2ADORA1 | |
| SCHEMBL18153985 | 0.81 | BACE1 (0.30) | BACE1 | |
| SCHEMBL14705092 | 0.80 | DRD2 (0.30) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-119816496-A | Aromatic acetylene derivative and preparation method and application thereof | 浙江海正药业股份有限公司 | 2025-04-11 | — | — | CN | disclosed |
| WO-2024067812-A1 | AROMATIC ACETYLENE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF | 浙江海正药业股份有限公司 | 2024-04-04 | — | — | WO | disclosed |
| US-7718801-B2 | Substituted imidazole derivative | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2010-05-18 | — | — | US | disclosed |
| US-20080070894-A1 | Novel Substituted Imidazole Derivative | MSD K.K. (JP) | 2008-03-20 | — | — | US | disclosed |
| EP-1790650-A1 | NOVEL SUBSTITUTED IMIDAZOLE DERIVATIVES | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2007-05-30 | — | — | EP | 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-20080070894-A1 | Novel Substituted Imidazole Derivative | PLK1, CDK1, CDK11A | ESR1 1230/4885ESR2 3245/4885JAK1 269/4885 |
“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.