Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | ACHE | P22303 | 3/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA4 | P22748 | 1/20 | 0.43 |
| ▸ | CA7 | P43166 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.43 |
| ▸ | NQO1 | P15559 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | DHPS | P49366 | 1/20 | 0.41 |
| ▸ | EGFR | P00533 | 1/20 | 0.41 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.41 |
| ▸ | KDR | P35968 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL13871406 | 0.89 | CYP1A2 (0.61) | CYP1A2ACHEALDH1A1TDP1CYP2A6 | |
| SCHEMBL8157352 | 0.88 | CYP1A2 (0.59) | CYP1A2ACHEALDH1A1CA12CA1 | |
| SCHEMBL20308917 | 0.85 | ACHE (0.53) | CYP1A2ACHEL3MBTL1HTTNQO1 | |
| SCHEMBL16632544 | 0.82 | CA12 (0.54) | ACHEL3MBTL1ALDH1A1HTTMAPK1 | |
| SCHEMBL16632535 | 0.82 | SLC6A2 (0.47) | ACHEL3MBTL1ALDH1A1HTTMAPK1 | |
| SCHEMBL16632676 | 0.82 | CYP1A2 (0.49) | CYP1A2ALDH1A1CA1CA2TDP1 | |
| SCHEMBL13871403 | 0.81 | CYP1A2 (0.52) | CYP1A2L3MBTL1ALDH1A1HTTTDP1 | |
| SCHEMBL16920391 | 0.81 | CYP1A2 (0.52) | CYP1A2L3MBTL1ALDH1A1TDP1CYP2A6 | |
| SCHEMBL29039540 | 0.81 | NQO1 (0.57) | CYP1A2L3MBTL1ALDH1A1HTTMAPK1 | |
| SCHEMBL16640617 | 0.79 | AR (0.59) | ACHECA1CA2 |
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 | CYP1A2 567/4885ACHE 1975/4885L3MBTL1 879/4885 |
“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.