Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH1 | O75874 | 11/20 | 0.41 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.39 |
| ▸ | UGCG | Q16739 | 1/20 | 0.31 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.31 |
| ▸ | DHPS | P49366 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL19984501 | 0.80 | IDH1 (0.40) | IDH1UGCGLRRK2DHPS | |
| SCHEMBL20820768 | 0.80 | IDH1 (0.38) | IDH1UGCGLRRK2DHPS | |
| SCHEMBL17050405 | 0.77 | IDH1 (0.47) | IDH1HSP90AB1DHPS | |
| SCHEMBL20820769 | 0.76 | IDH1 (0.36) | IDH1UGCGLRRK2DHPS | |
| SCHEMBL799362 | 0.76 | HSP90AB1 (0.41) | IDH1HSP90AB1 | |
| SCHEMBL21004803 | 0.69 | IDH1 (0.57) | IDH1HSP90AB1LRRK2 | |
| SCHEMBL25961893 | 0.67 | IDH1 (0.43) | IDH1HSP90AB1 | |
| SCHEMBL20933060 | 0.66 | CRBN (0.53) | — | |
| SCHEMBL23228512 | 0.65 | IDH1 (0.53) | IDH1UGCGLRRK2 | |
| SCHEMBL23350137 | 0.64 | MAPK1 (0.48) | IDH1LRRK2DHPS |
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-20180079727-A1 | 9-MEMBERED FUSED RING DERIVATIVE | SHIONOGI & CO., LTD. (JP) | 2018-03-22 | — | — | US | disclosed |
| US-20180079727-A1 | 9-MEMBERED FUSED RING DERIVATIVE | SHIONOGI & CO., LTD. (JP) | 2018-03-22 | — | — | US | disclosed |
| US-20160257641-A1 | NOVEL ALKYLENE DERIVATIVES | SHIONOGI & CO., LTD. (JP) | 2016-09-08 | — | — | US | disclosed |
| US-20150246938-A1 | NOVEL OLEFIN DERIVATIVE | SHIONOGI & CO., LTD. (JP) | 2015-09-03 | — | — | 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 (3 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-20180079727-A1 | 9-MEMBERED FUSED RING DERIVATIVE | ACSS2, AGTR2, ACSL3 | IDH1 129/4885HSP90AB1 4416/4885UGCG 3267/4885 |
| US-20150246938-A1 | NOVEL OLEFIN DERIVATIVE | ACSS2, ACACB, ACAT2 | IDH1 587/4885HSP90AB1 3034/4885UGCG 2525/4885 |
| US-20160257641-A1 | NOVEL ALKYLENE DERIVATIVES | ACSS2, ACACB, ADCY2 | IDH1 487/4885HSP90AB1 4373/4885UGCG 2249/4885 |
“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.