Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | AR | P10275 | 2/20 | 0.36 |
| ▸ | STK39 | Q9UEW8 | 1/20 | 0.34 |
| ▸ | RHEB | Q15382 | 2/20 | 0.34 |
| ▸ | AHR | P35869 | 1/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | TTR | P02766 | 1/20 | 0.31 |
| ▸ | PGR | P06401 | 1/20 | 0.31 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.31 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | HSPA5 | P11021 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | CBR1 | P16152 | 1/20 | 0.31 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL16632622 | 0.85 | CNR2 (0.45) | CYP2A6ARMAPTHPGDPOLB | |
| SCHEMBL16632531 | 0.85 | SLC6A4 (0.42) | CYP2A6ARRHEBLMNAPGR | |
| SCHEMBL16632479 | 0.84 | CYP2A6 (0.45) | CYP2A6ARMAOAMAPTHPGD | |
| SCHEMBL16632556 | 0.79 | TTR (0.46) | CYP2A6RHEBAHRNR1I2LMNA | |
| SCHEMBL16632596 | 0.73 | AR (0.43) | ARSTK39RHEBSLC6A3POLB | |
| SCHEMBL16632742 | 0.72 | CYP2A6 (0.38) | CYP2A6ARMAPTSLC6A2SLC6A3 | |
| SCHEMBL16632749 | 0.72 | MAPT (0.36) | ARPGRMAPTSLC6A2SLC6A3 | |
| SCHEMBL16632752 | 0.70 | CNR2 (0.45) | CYP2A6ARHPGDCNR2 | |
| SCHEMBL16632723 | 0.70 | SLC6A4 (0.49) | ARMAOALMNATTRMAPT | |
| SCHEMBL16632475 | 0.69 | TTR (0.45) | CYP2A6STK39RHEBNR1I2LMNA |
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 3070/4885STK39 4125/4885 |
“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.