Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.45 |
| ▸ | AR | P10275 | 2/20 | 0.43 |
| ▸ | MAOA | P21397 | 2/20 | 0.42 |
| ▸ | CNR2 | P34972 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.41 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 4/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5584528 | 0.90 | CYP2A6 (0.50) | CYP2A6MAOACNR2ALDH1A1KDM4E | |
| SCHEMBL16632454 | 0.88 | AR (0.41) | CYP2A6ARMAOACNR2NPC1 | |
| SCHEMBL16632723 | 0.87 | SLC6A4 (0.49) | ARMAOAALDH1A1NPC1LMNA | |
| SCHEMBL16632752 | 0.85 | CNR2 (0.45) | CYP2A6ARCNR2ALDH1A1KDM4E | |
| SCHEMBL16632531 | 0.84 | SLC6A4 (0.42) | CYP2A6ARALDH1A1KDM4ENPC1 | |
| SCHEMBL16632479 | 0.83 | CYP2A6 (0.45) | CYP2A6ARMAOACNR2KDM4E | |
| SCHEMBL16632742 | 0.76 | CYP2A6 (0.38) | CYP2A6ARKDM4ENPSR1L3MBTL1 | |
| SCHEMBL3484201 | 0.75 | AR (0.39) | CYP2A6ARALDH1A1KDM4ENPC1 | |
| SCHEMBL16632556 | 0.75 | TTR (0.46) | CYP2A6LMNAMEN1KMT2AHPGD | |
| SCHEMBL6961672 | 0.74 | ALDH1A1 (0.58) | CYP2A6ARMAOAALDH1A1KDM4E |
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-9382245-B2 | Compounds and methods for treating HIV infections | YALE UNIVERSITY (US) | 2016-07-05 | — | — | US | disclosed |
| US-20150105351-A1 | COMPOUNDS AND METHODS FOR TREATING HIV INFECTIONS | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2015-04-16 | — | — | 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-20150105351-A1 | COMPOUNDS AND METHODS FOR TREATING HIV INFECTIONS | POLM, POLRMT, DHFR | CYP2A6 785/4885AR 3070/4885MAOA 1754/4885 |
“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.