Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM3 | P20309 | 6/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.34 |
| ▸ | TACR1 | P25103 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | USP2 | O75604 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.32 |
| ▸ | REN | P00797 | 3/20 | 0.32 |
| ▸ | LMNA | P02545 | 3/20 | 0.31 |
| ▸ | SCN1A | P35498 | 2/20 | 0.31 |
| ▸ | SCN2A | Q99250 | 2/20 | 0.31 |
| ▸ | SCN3A | Q9NY46 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1864547 | 1.00 | CHRM3 (0.38) | CHRM3ALDH1A1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL1864543 | 1.00 | CHRM3 (0.38) | CHRM3ALDH1A1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL8269204 | 0.87 | REN (0.36) | MEN1KMT2ACYP1A2RENKCNH2 | |
| SCHEMBL26971604 | 0.73 | CHRM3 (0.37) | CHRM3ALDH1A1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL26971610 | 0.72 | CHRM3 (0.36) | CHRM3ALDH1A1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL18281491 | 0.68 | KCNN4 (0.41) | ALDH1A1KMT2ASLC6A9CYP2D6CYP3A4 | |
| SCHEMBL10938445 | 0.68 | SIGMAR1 (0.56) | CHRM3SMN1; SMN2POLBCYP2D6LMNA | |
| SCHEMBL26971589 | 0.68 | CHRM3 (0.37) | CHRM3ALDH1A1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL1870936 | 0.68 | REN (0.47) | CHRM3MEN1KMT2ACYP2D6CYP3A4 | |
| SCHEMBL1870939 | 0.68 | REN (0.47) | CHRM3MEN1KMT2ACYP2D6CYP3A4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8455521-B2 | Diaminoalkane aspartic protease inhibitors | VITAE PHARMACEUTICALS, INC. (US) | 2013-06-04 | — | — | US | disclosed |
| US-7754737-B2 | Diaminoalkane aspartic protease inhibitors | VITAE PHARMACEUTICALS, INC. (US) | 2010-07-13 | — | — | US | disclosed |
| US-20090018103-A1 | Diaminoalkane Aspartic Protease Inhibitors | VITAE PHARMACEUTICAL, INC (US) | 2009-01-15 | — | — | 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-20090018103-A1 | Diaminoalkane Aspartic Protease Inhibitors | DNPEP, PEPD, ACE | CHRM3 3970/4885ALDH1A1 587/4885SMN1; SMN2 1477/4885 |
“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.