Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | GFER | P55789 | 1/20 | 0.43 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.42 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.42 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.41 |
| ▸ | KCNA5 | P22460 | 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 | |
|---|---|---|---|---|
| SCHEMBL6671752 | 0.86 | HTT (0.65) | HTTCYP3A4CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL14539624 | 0.85 | HTT (0.59) | HTTCYP3A4CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL27624091 | 0.83 | HTT (0.57) | HTTCYP3A4CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL4670467 | 0.83 | HTT (0.54) | HTTCYP3A4CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL25629360 | 0.81 | NOTUM (0.58) | HTTCYP3A4CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL19305858 | 0.81 | HTT (0.55) | HTTCYP3A4CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL25752263 | 0.81 | HTT (0.55) | HTTCYP3A4CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL2030599 | 0.78 | ALDH1A1 (0.70) | HTTALDH1A1TSHRGLAMAPT | |
| SCHEMBL16432744 | 0.78 | HTT (0.46) | HTTCYP3A4CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL12978259 | 0.77 | HTT (0.66) | HTTCYP3A4CYP2C9CYP2B6CYP2C19 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10703754-B2 | Compounds and compositions for treating chemical warfare agent-induced injuries | ELI LILLY AND COMPANY (US) | 2020-07-07 | — | — | US | disclosed |
| US-20190194202-A1 | COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES | ELI LILLY AND COMPANY | 2019-06-27 | — | — | US | disclosed |
| US-20180265511-A1 | COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES | ELI LILLY AND COMPANY | 2018-09-20 | — | — | US | disclosed |
| US-20180133170-A1 | METHODS AND COMPOSITIONS FOR TREATING DISORDERS | ELI LILLY AND COMPANY | 2018-05-17 | — | — | US | disclosed |
| WO-2015013835-A1 | PIPERAZINE DERIVATIVES AS HIV PROTEASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2015-02-05 | — | — | WO | disclosed |
| US-20130059869-A1 | METHODS AND COMPOSITIONS FOR TREATING DISORDERS | HYDRA BIOSCIENCES, INC. | 2013-03-07 | — | — | US | disclosed |
| US-20120046305-A1 | METHODS AND COMPOSITIONS FOR TREATING RESPIRATORY DISORDERS | ELI LILLY AND COMPANY | 2012-02-23 | — | — | US | disclosed |
| US-20090143377-A1 | METHODS AND COMPOSITIONS FOR TREATING DISORDERS | ELI LILLY AND COMPANY | 2009-06-04 | — | — | 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 (7 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-10703754-B2 | Compounds and compositions for treating chemical warfare agent-induced injuries | ELANE, CASP3, MMP8 | HTT 4377/4885CYP3A4 2741/4885CYP2C9 1093/4885 |
| US-20180133170-A1 | METHODS AND COMPOSITIONS FOR TREATING DISORDERS | TRPA1, TRPV1, TRPV3 | HTT 160/4885CYP3A4 2805/4885CYP2C9 2600/4885 |
| US-20180265511-A1 | COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES | ELANE, CASP3, MMP8 | HTT 4377/4885CYP3A4 2741/4885CYP2C9 1093/4885 |
| US-20090143377-A1 | METHODS AND COMPOSITIONS FOR TREATING DISORDERS | TRPA1, TRPV1, TRPV3 | HTT 160/4885CYP3A4 2805/4885CYP2C9 2600/4885 |
| US-20120046305-A1 | METHODS AND COMPOSITIONS FOR TREATING RESPIRATORY DISORDERS | TRPA1, TRPV1, TRPV3 | HTT 1239/4885CYP3A4 1812/4885CYP2C9 2213/4885 |
| US-20190194202-A1 | COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES | ELANE, CASP3, MMP8 | HTT 4377/4885CYP3A4 2741/4885CYP2C9 1093/4885 |
| US-20130059869-A1 | METHODS AND COMPOSITIONS FOR TREATING DISORDERS | TRPA1, TRPV1, TRPV3 | HTT 160/4885CYP3A4 2805/4885CYP2C9 2600/4885 |
“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.