Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28777147 | 0.82 | NPSR1 (0.41) | NPSR1ALDH1A1KMT2AHTTNPC1 | |
| SCHEMBL4428614 | 0.77 | NPSR1 (0.44) | NPSR1ALDH1A1KMT2AHTTNPC1 | |
| SCHEMBL11496421 | 0.77 | ALDH1A1 (0.37) | NPSR1ADRA2CALDH1A1KMT2AHTT | |
| SCHEMBL28995069 | 0.77 | ALDH1A1 (0.44) | NPSR1ADRA2CALDH1A1KMT2AHTT | |
| SCHEMBL9348371 | 0.76 | NPSR1 (0.48) | NPSR1ALDH1A1KMT2AHTTNPC1 | |
| SCHEMBL28581000 | 0.76 | NPSR1 (0.48) | NPSR1ALDH1A1KMT2AHTTNPC1 | |
| SCHEMBL27599059 | 0.73 | CYP3A4 (0.46) | ALDH1A1NPC1RAB9AGLATSHR | |
| SCHEMBL6851360 | 0.72 | LMNA (0.56) | NPSR1ALDH1A1KMT2APOLBTSHR | |
| SCHEMBL4467640 | 0.72 | NPSR1 (0.44) | NPSR1ALDH1A1KMT2AHTTNPC1 | |
| SCHEMBL9331004 | 0.72 | CES2 (0.49) | ALDH1A1KMT2ANPC1RAB9ATSHR |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 (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-20080280945-A1 | Crystalline forms of an HIV integrase inhibitor | TYMP, SAMHD1, ACIN1 | NPSR1 4512/4885ADRA2C 4447/4885ALDH1A1 3635/4885 |
“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.