Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 6/20 | 0.38 |
| ▸ | ALDH1A3 | P47895 | 2/20 | 0.38 |
| ▸ | KIF11 | P52732 | 2/20 | 0.36 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | TDO2 | P48775 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL11811006 | 0.77 | MEN1 (0.41) | ALDH1A1CYP2A6KIF11KDM4EMEN1 | |
| SCHEMBL5385215 | 0.76 | ALDH1A1 (0.48) | ALDH1A1CYP2A6ALDH1A3KIF11ALDH3A1 | |
| SCHEMBL1818682 | 0.74 | CYP2A6 (0.50) | ALDH1A1CYP2A6KDM4EMEN1KMT2A | |
| SCHEMBL29953142 | 0.74 | CYP2A6 (0.50) | ALDH1A1CYP2A6KDM4EMEN1KMT2A | |
| SCHEMBL29956213 | 0.72 | CYP2A6 (0.48) | ALDH1A1CYP2A6KDM4EMEN1KMT2A | |
| SCHEMBL17783289 | 0.72 | CYP2A6 (0.39) | ALDH1A1CYP2A6KIF11KDM4EMEN1 | |
| SCHEMBL9127399 | 0.71 | CYP2A6 (0.48) | ALDH1A1CYP2A6KIF11KDM4EPTGS2 | |
| SCHEMBL361060 | 0.70 | ALDH1A1 (0.50) | ALDH1A1CYP2A6ALDH1A3KIF11ALDH3A1 | |
| SCHEMBL2878046 | 0.70 | ALDH1A1 (0.45) | ALDH1A1CYP2A6ALDH1A3KIF11ALDH3A1 | |
| SCHEMBL154905 | 0.70 | VCP (0.55) | ALDH1A1CYP2A6ALDH1A3KIF11ALDH3A1 |
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 6 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-9382245-B2 | Compounds and methods for treating HIV infections | YALE UNIVERSITY (US) | 2016-07-05 | — | — | US | disclosed |
| 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 |
| 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 |
| 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 | ALDH1A1 1200/4885CYP2A6 785/4885ALDH1A3 1137/4885 |
“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.