Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.47 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 3/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.40 |
| ▸ | KDR | P35968 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.36 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.36 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL30354463 | 0.77 | HPGDS (0.53) | CYP2A6PIK3CDNPC1RAB9AKDR | |
| SCHEMBL16059998 | 0.77 | HPGDS (0.53) | CYP2A6PIK3CDNPC1RAB9AKDR | |
| SCHEMBL30354464 | 0.77 | HPGDS (0.53) | CYP2A6PIK3CDNPC1RAB9AKDR | |
| SCHEMBL1662273 | 0.73 | PIK3CD (0.73) | CYP2A6PIK3CDNPC1RAB9AALDH1A1 | |
| SCHEMBL9419852 | 0.73 | HDAC6 (0.57) | KDRHDAC1HDAC6 | |
| SCHEMBL23417016 | 0.73 | TRPV4 (0.44) | PIK3CDKDRHDAC1HDAC6 | |
| SCHEMBL20852325 | 0.73 | PRMT5 (0.37) | KDRHDAC1HDAC6 | |
| SCHEMBL28893597 | 0.73 | EGLN2 (0.42) | PIK3CDKDRHDAC1HDAC6 | |
| SCHEMBL198093 | 0.73 | CNR1 (0.49) | CYP2A6NPC1RAB9AALDH1A1KDM4E | |
| SCHEMBL6224732 | 0.72 | IDO1 (0.49) | NOTUMMEN1KMT2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230058961-A1 | SUBSTITUTED HETEROCYCLICS WITH THERAPEUTIC ACTIVITY IN HIV | NATIONAL INSTITUTES OF HEALTH | 2023-02-23 | — | — | US | disclosed |
| CN-114727987-A | Substituted heterocyclic compounds having HIV therapeutic activity | 纽约血库公司 | 2022-07-08 | — | — | CN | disclosed |
| WO-2021102114-A1 | SUBSTITUTED HETEROCYCLICS WITH THERAPEUTIC ACTIVITY IN HIV | NEW YORK BLOOD CENTER, INC. (US) | 2021-05-27 | — | — | WO | disclosed |
| WO-1995000506-A1 | SUBSTITUTED PYRIDYLPYRROLES AND THEIR USE FOR CONTROLLING ANIMAL PESTS | BAYER AKTIENGESELLSCHAFT (DE) | 1995-01-05 | — | — | WO | 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-20230058961-A1 | SUBSTITUTED HETEROCYCLICS WITH THERAPEUTIC ACTIVITY IN HIV | CD4, NFATC1, PAICS | CYP2A6 295/4885PIK3CD 2236/4885NPC1 212/4885 |
“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.