Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | PDE3B | Q13370 | 3/20 | 0.39 |
| ▸ | PDE3A | Q14432 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | EZH2 | Q15910 | 4/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | MDM2 | Q00987 | 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 | |
|---|---|---|---|---|
| SCHEMBL4484368 | 0.91 | MEN1 (0.39) | ALDH1A1MEN1KMT2APDE3BPDE3A | |
| SCHEMBL2733763 | 0.87 | AKR1B1 (0.41) | EZH2 | |
| SCHEMBL10232283 | 0.86 | GPR52 (0.38) | EZH2 | |
| SCHEMBL4487029 | 0.85 | AKR1B1 (0.36) | EZH2 | |
| SCHEMBL16978652 | 0.85 | ALDH1A1 (0.47) | ALDH1A1MEN1KMT2APDE3BPDE3A | |
| SCHEMBL4473406 | 0.83 | ALDH1A1 (0.42) | ALDH1A1MEN1KMT2APDE3BPDE3A | |
| SCHEMBL2730844 | 0.81 | PARP1 (0.34) | — | |
| SCHEMBL16982800 | 0.81 | EZH2 (0.35) | EZH2 | |
| SCHEMBL4478453 | 0.81 | DAO (0.39) | ALDH1A1LMNAHTTSMN1; SMN2L3MBTL1 | |
| SCHEMBL1336916 | 0.80 | MEN1 (0.42) | ALDH1A1MEN1KMT2ALMNAHTT |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20150218164-A1 | SUBSTITUTED NAPHTHYRIDINEDIONE DERIVATIVES AS HIV INTEGRASE INHIBITORS | MERCK SHARP & DOHME CORP. | 2015-08-06 | — | — | US | disclosed |
| US-20150218164-A1 | SUBSTITUTED NAPHTHYRIDINEDIONE DERIVATIVES AS HIV INTEGRASE INHIBITORS | MERCK SHARP & DOHME CORP. | 2015-08-06 | — | — | US | disclosed |
| US-20080280945-A1 | Crystalline forms of an HIV integrase inhibitor | MERCK SHARP & DOHME CORP. | 2008-11-13 | — | — | US | disclosed |
| US-20080280945-A1 | Crystalline forms of an HIV integrase inhibitor | MERCK SHARP & DOHME CORP. | 2008-11-13 | — | — | US | disclosed |
| US-20080280945-A1 | Crystalline forms of an HIV integrase inhibitor | MERCK SHARP & DOHME CORP. | 2008-11-13 | — | — | 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 (2 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-20080280945-A1 | Crystalline forms of an HIV integrase inhibitor | TYMP, SAMHD1, ACIN1 | ALDH1A1 3635/4885MEN1 3927/4885KMT2A 3173/4885 |
| US-20150218164-A1 | SUBSTITUTED NAPHTHYRIDINEDIONE DERIVATIVES AS HIV INTEGRASE INHIBITORS | SAMHD1, ENTPD5, DUT | ALDH1A1 1014/4885MEN1 4333/4885KMT2A 1513/4885 |
“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.