Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.51 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.51 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | PYGL | P06737 | 4/20 | 0.49 |
| ▸ | DRD2 | P14416 | 1/20 | 0.49 |
| ▸ | DRD3 | P35462 | 1/20 | 0.49 |
| ▸ | HTR2C | P28335 | 1/20 | 0.48 |
| ▸ | EIF4A3 | P38919 | 1/20 | 0.48 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.47 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL14845695 | 0.82 | HDAC1 (0.66) | KDM4EALDH1A1AKR1C3HRH4HRH3 | |
| SCHEMBL15099964 | 0.80 | KDM4E (0.79) | KDM4EALDH1A1AKR1C3HRH4HRH3 | |
| SCHEMBL20381087 | 0.79 | KDM4E (0.53) | KDM4EALDH1A1AKR1C3HRH4HRH3 | |
| SCHEMBL29904432 | 0.77 | KDM4E (0.83) | KDM4EALDH1A1AKR1C3DRD2DRD3 | |
| SCHEMBL30547869 | 0.77 | EIF4A3 (0.77) | KDM4EALDH1A1HRH3MAPTEIF4A3 | |
| SCHEMBL12387277 | 0.77 | EIF4A3 (0.58) | KDM4EALDH1A1HRH4EIF4A3RAB9A | |
| SCHEMBL3643479 | 0.77 | EIF4A3 (0.77) | KDM4EALDH1A1HRH3MAPTEIF4A3 | |
| SCHEMBL20381090 | 0.76 | TP53 (0.70) | PYGLNPC1RAB9A | |
| SCHEMBL12363915 | 0.76 | EIF4A3 (0.56) | KDM4EALDH1A1EIF4A3RAB9A | |
| SCHEMBL28788142 | 0.75 | KDM4E (0.52) | KDM4EALDH1A1AKR1C3HRH4HRH3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 4235/4885ALDH1A1 1961/4885AKR1C3 989/4885 |
“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.