Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.40 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.40 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.40 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 2/20 | 0.38 |
| ▸ | CHRM5 | P08912 | 3/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.37 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.37 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL17396135 | 1.00 | TAAR1 (0.40) | TAAR1CHRNB2CHRNA7CHRNA4NR1H4 | |
| SCHEMBL1056603 | 0.95 | CYP2D6 (0.41) | TAAR1CHRNB2CHRNA7CHRNA4NR1H4 | |
| SCHEMBL12961554 | 0.95 | CYP2D6 (0.41) | TAAR1CHRNB2CHRNA7CHRNA4NR1H4 | |
| SCHEMBL6166576 | 0.93 | NR1H4 (0.41) | CHRNB2CHRNA7CHRNA4NR1H4PARP1 | |
| SCHEMBL10177443 | 0.92 | CHRNB2 (0.39) | TAAR1CHRNB2CHRNA7CHRNA4NR1H4 | |
| SCHEMBL15105935 | 0.91 | CHRNB2 (0.38) | TAAR1CHRNB2CHRNA7CHRNA4NR1H4 | |
| SCHEMBL882749 | 0.91 | CHRNB2 (0.38) | TAAR1CHRNB2CHRNA7CHRNA4NR1H4 | |
| SCHEMBL883089 | 0.91 | CHRNB2 (0.38) | TAAR1CHRNB2CHRNA7CHRNA4NR1H4 | |
| SCHEMBL12682632 | 0.85 | CYP1A2 (0.40) | CHRNB2CHRNA7CHRNA4NR1H4PARP1 | |
| SCHEMBL12682719 | 0.85 | SCN10A (0.35) | TAAR1CHRNB2CHRNA7CHRNA4NR1H4 |
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-9868758-B2 | Betulinic proline imidazole derivatives as HIV inhibitors | HETERO LABS LIMITED (IN) | 2018-01-16 | — | — | US | disclosed |
| US-20170129917-A1 | NOVEL BETULINIC PROLINE IMIDAZOLE DERIVATIVES AS HIV INHIBITORS | HETERO LABS LIMITED (IN) | 2017-05-11 | — | — | US | disclosed |
| WO-2017025899-A1 | NOVEL C28-AMIDES WITH C3-MODIFICATIONS OF TRITERPENE DERIVATIVES AS HIV INHIBITORS | HETERO RESEARCH FOUNDATION (IN) | 2017-02-16 | — | — | WO | disclosed |
| WO-2016001820-A1 | NOVEL BETULINIC PROLINE IMIDAZOLE DERIVATIVES AS HIV INHIBITORS | HETERO RESEARCH FOUNDATION (IN) | 2016-01-07 | — | — | 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-20170129917-A1 | NOVEL BETULINIC PROLINE IMIDAZOLE DERIVATIVES AS HIV INHIBITORS | BET1, PRR12, IMPA1 | TAAR1 3391/4885CHRNB2 4880/4885CHRNA7 4820/4885 |
“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.