Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 7/20 | 0.47 |
| ▸ | TSHR | P16473 | 5/20 | 0.47 |
| ▸ | CTRB1 | P17538 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | CTSL | P07711 | 2/20 | 0.44 |
| ▸ | CTSB | P07858 | 2/20 | 0.44 |
| ▸ | CTSS | P25774 | 2/20 | 0.44 |
| ▸ | CTSK | P43235 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | KDM1A | O60341 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | SYK | P43405 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3586345 | 1.00 | CYP3A4 (0.47) | CYP3A4TSHRCTRB1LMNAMEN1 | |
| SCHEMBL3586338 | 1.00 | CYP3A4 (0.47) | CYP3A4TSHRCTRB1LMNAMEN1 | |
| SCHEMBL8236314 | 0.88 | SYK (0.49) | CYP3A4TSHRCTRB1LMNAMEN1 | |
| SCHEMBL1867261 | 0.86 | CYP3A4 (0.41) | CYP3A4TSHRCTRB1LMNAMEN1 | |
| SCHEMBL8245270 | 0.84 | CTRB1 (0.48) | CYP3A4TSHRCTRB1LMNACTSL | |
| SCHEMBL3617017 | 0.82 | CTRB1 (0.45) | CYP3A4TSHRCTRB1LMNACTSL | |
| SCHEMBL3610184 | 0.82 | CTRB1 (0.45) | CYP3A4TSHRCTRB1LMNACTSL | |
| SCHEMBL3617019 | 0.82 | CTRB1 (0.45) | CYP3A4TSHRCTRB1LMNACTSL | |
| SCHEMBL3617016 | 0.82 | CTRB1 (0.45) | CYP3A4TSHRCTRB1LMNACTSL | |
| SCHEMBL3617015 | 0.82 | CTRB1 (0.45) | CYP3A4TSHRCTRB1LMNACTSL |
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-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 |
| EP-1807078-A1 | DIAMINOALKANE ASPARTIC PROTEASE INHIBITORS | Vitae Pharmaceuticals, Inc. (US) | 2007-07-18 | — | — | EP | disclosed |
| WO-2006042150-A1 | DIAMINOALKANE ASPARTIC PROTEASE INHIBITORS | VITAE PHARMACEUTICALS, INC. (US) | 2006-04-20 | — | — | 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-20090018103-A1 | Diaminoalkane Aspartic Protease Inhibitors | DNPEP, PEPD, ACE | CYP3A4 2361/4885TSHR 4650/4885CTRB1 112/4885 |
“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.