Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.78 |
| ▸ | PGR | P06401 | 3/20 | 0.74 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.71 |
| ▸ | CA12 | O43570 | 1/20 | 0.51 |
| ▸ | CA9 | Q16790 | 1/20 | 0.51 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.48 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.48 |
| ▸ | HTR2A | P28223 | 1/20 | 0.48 |
| ▸ | HTR2C | P28335 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2229460 | 0.80 | PGR (0.54) | MCOLN3PGRKDM4EHSD11B1ALDH1A1 | |
| SCHEMBL3853249 | 0.80 | MCOLN3 (0.57) | MCOLN3PGRKDM4ECA12CA9 | |
| SCHEMBL3822613 | 0.79 | MCOLN3 (0.60) | MCOLN3PGRKDM4ECA12CA9 | |
| SCHEMBL3823916 | 0.79 | MCOLN3 (0.60) | MCOLN3PGRKDM4ECA12CA9 | |
| SCHEMBL11232067 | 0.78 | KDM4E (0.61) | MCOLN3PGRKDM4ECA12CA9 | |
| SCHEMBL12577226 | 0.78 | HSD11B1 (0.75) | PGRHSD11B1NR1H2NR1H3 | |
| SCHEMBL16121117 | 0.78 | NR1H3 (0.68) | PGRHSD11B1NR1H2NR1H3 | |
| SCHEMBL4598847 | 0.78 | HSD11B1 (0.75) | PGRHSD11B1NR1H2NR1H3 | |
| SCHEMBL6534930 | 0.78 | MCOLN3 (0.58) | MCOLN3PGRKDM4ECA12CA9 | |
| SCHEMBL9355856 | 0.78 | MCOLN3 (0.58) | MCOLN3PGRKDM4ECA12CA9 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1011652-A4 | NOVEL DIARYLSULFONE NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS | UNIV THE SCIENCES IN PHILADELP (US) | 2004-12-22 | — | — | EP | disclosed |
| US-6303630-B1 | TREATING HUMAN IMMUNODEFICIENCY VIRUS INFECTION BYADMINISTERING TO A HUMAN DIARYLSULFONE COMPOUND | UNIVERSITY OF THE SCIENCES IN PHILADELPHIA | 2001-10-16 | — | — | US | disclosed |
| EP-1011652-A1 | NOVEL DIARYLSULFONE NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS | University of the Sciences in Philadelphia (US) | 2000-06-28 | — | — | EP | disclosed |
| US-6063790-A | TREATMENT OF AIDS | UNIVERSITY OF THE SCIENCES IN PHILADELPHIA (US) | 2000-05-16 | — | — | US | disclosed |
| WO-1999006037-A1 | NOVEL DIARYLSULFONE NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS | UNIVERSITY OF THE SCIENCES IN PHILADELPHIA (US) | 1999-02-11 | — | — | WO | disclosed |