Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.41 |
| ▸ | DAO | P14920 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 5/20 | 0.38 |
| ▸ | MAPT | P10636 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | KIF11 | P52732 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9001728 | 0.88 | DAO (0.53) | KDM4ECYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL22084816 | 0.80 | LMNA (0.41) | KDM4ECYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL24670419 | 0.77 | ALOX15 (0.47) | KDM4ECYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL806284 | 0.77 | LOXL2 (0.49) | KDM4ECYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL1571284 | 0.75 | SLC6A2 (0.50) | KDM4ECYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL8999779 | 0.74 | MAPT (0.57) | KDM4ECYP2A6MEN1MAPTALDH1A1 | |
| SCHEMBL3525432 | 0.74 | KDM4E (0.47) | KDM4ECYP2A6DAOCYP1A2MEN1 | |
| SCHEMBL9913563 | 0.73 | CYP2D6 (0.41) | CYP2D6SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL864772 | 0.73 | KDM4E (0.46) | KDM4ECYP2A6DAOCYP1A2MEN1 | |
| SCHEMBL17199995 | 0.73 | IDH1 (0.49) | KDM4EDAOMEN1MAPTALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020116662-A1 | CYCLOALKANE-1,3-DIAMINE DERIVATIVE | 第一三共株式会社 | 2020-06-11 | — | — | WO | disclosed |
| US-9974781-B2 | Modulators of ATP-binding cassette transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2018-05-22 | — | — | US | disclosed |
| US-20170189389-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2017-07-06 | — | — | 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-20170189389-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | CFTR, ABCB1, ABCC2 | KDM4E 4235/4885CYP2D6 1127/4885SLC6A2 347/4885 |
“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.