Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 1.00 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.66 |
| ▸ | CA1 | P00915 | 11/20 | 0.64 |
| ▸ | CA2 | P00918 | 11/20 | 0.64 |
| ▸ | CA9 | Q16790 | 11/20 | 0.64 |
| ▸ | CA12 | O43570 | 10/20 | 0.64 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.57 |
| ▸ | CA6 | P23280 | 2/20 | 0.55 |
| ▸ | CA5A | P35218 | 2/20 | 0.55 |
| ▸ | CA7 | P43166 | 2/20 | 0.55 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.55 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.55 |
| ▸ | MMP1 | P03956 | 1/20 | 0.53 |
| ▸ | MMP2 | P08253 | 1/20 | 0.53 |
| ▸ | MMP9 | P14780 | 1/20 | 0.53 |
| ▸ | MMP8 | P22894 | 1/20 | 0.53 |
| ▸ | MMP13 | P45452 | 1/20 | 0.53 |
| ▸ | CA4 | P22748 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL11520559 | 0.90 | CYP2D6 (0.81) | CYP2D6CYP3A4CA1CA2CA9 | |
| SCHEMBL11682917 | 0.90 | CYP2D6 (0.81) | CYP2D6CYP3A4CA1CA2CA9 | |
| SCHEMBL14066337 | 0.82 | CYP2D6 (0.70) | CYP2D6CA2CA9CA12ALDH1A1 | |
| SCHEMBL17703607 | 0.81 | ALDH1A1 (0.69) | CYP2D6CA1CA2MMP1MMP2 | |
| SCHEMBL3157516 | 0.81 | CYP2D6 (0.69) | CYP2D6CYP3A4CA1CA2CA9 | |
| SCHEMBL2563975 | 0.81 | CYP3A4 (0.70) | CYP2D6CYP3A4CA1CA2CA9 | |
| SCHEMBL9444696 | 0.81 | CYP2D6 (0.69) | CYP2D6CYP3A4CA1CA2CA9 | |
| SCHEMBL30380602 | 0.81 | CYP2D6 (0.68) | CYP2D6CYP3A4CA1CA2CA9 | |
| SCHEMBL9444716 | 0.80 | CYP2D6 (0.67) | CYP2D6CA1CA2CA9CA12 | |
| SCHEMBL14628032 | 0.79 | CYP3A4 (1.00) | CYP2D6CYP3A4CA1CA2CA9 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20180148401-A1 | Compounds and Methods of Use Thereof for Treating Tumors | GEORGETOWN UNIVERSITY | 2018-05-31 | — | — | US | disclosed |
| US-9695108-B2 | Compounds and methods of use thereof for treating tumors | GEORGETOWN UNIVERSITY (US) | 2017-07-04 | — | — | US | disclosed |
| US-20150344440-A1 | Compounds and Methods of Use Thereof for Treating Tumors | GEORGETOWN UNIVERSITY | 2015-12-03 | — | — | US | disclosed |
| WO-2014032019-A2 | COMPOUNDS AND METHODS OF USE THEREOF FOR TREATING TUMORS | GEORGETOWN UNIVERSITY (US) | 2014-02-27 | — | — | WO | disclosed |
| US-4180503-A | FOR DYEING POLYAMIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1979-12-25 | — | — | US | disclosed |
| US-4124581-A | FOR NATURAL AND SYNTHETIC FIBERS, COLORFAST | BAYER AKTIENGESELLSCHAFT (DE) | 1978-11-07 | — | — | US | disclosed |
| US-4060521-A | POLYAMIDE | BAYER AKTIENGESELLSCHAFT (DT) | 1977-11-29 | — | — | US | disclosed |
| US-4055557-A | MONOAZO DYES | BAYER AKTIENGESELLSCHAFT (DT) | 1977-10-25 | — | — | US | disclosed |
| US-3951944-A | Fiber-reactive, water-soluble disazo dyes containing an N-B-sulfoethylamide group | HOECHST AKTIENGESELLSCHAFT (DT) | 1976-04-20 | — | — | 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-20150344440-A1 | Compounds and Methods of Use Thereof for Treating Tumors | VHL, TP53, RHOA | CYP2D6 4178/4885CYP3A4 4425/4885CA1 200/4885 |
| US-20180148401-A1 | Compounds and Methods of Use Thereof for Treating Tumors | VHL, TP53, RHOA | CYP2D6 4178/4885CYP3A4 4425/4885CA1 200/4885 |
“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.