Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | KLK7 | P49862 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.40 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.40 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1860830 | 0.90 | SIGMAR1 (0.41) | SIGMAR1RAB9ANPC1HPGDUSP2 | |
| SCHEMBL1861268 | 0.73 | SIGMAR1 (0.46) | SIGMAR1RAB9ANPC1KLK7HPGD | |
| SCHEMBL3085177 | 0.71 | NPC1 (0.48) | RAB9ANPC1ALDH1A1HDAC3HDAC1 | |
| SCHEMBL1863195 | 0.71 | KDM5A (0.42) | SIGMAR1RAB9ANPC1EPHX1USP2 | |
| SCHEMBL8084099 | 0.69 | SIGMAR1 (1.00) | SIGMAR1RAB9ANPC1MEN1KMT2A | |
| SCHEMBL28034055 | 0.69 | LMNA (0.49) | RAB9ANPC1ALDH1A1MEN1KMT2A | |
| SCHEMBL11300310 | 0.68 | SIGMAR1 (0.58) | SIGMAR1RAB9AEPHX1MEN1KMT2A | |
| SCHEMBL31547204 | 0.68 | SIGMAR1 (0.88) | SIGMAR1RAB9ANPC1MEN1KMT2A | |
| SCHEMBL9286682 | 0.68 | ADH1B (0.40) | RAB9ANPC1ALDH1A1HDAC3HDAC1 | |
| SCHEMBL4070763 | 0.68 | NPC1 (0.73) | RAB9ANPC1KLK7HPGDEPHX1 |
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-20110105506-A1 | Diaminoalkane aspartic protease inhibitors | VITAE PHARMACEUTICALS, INC. | 2011-05-05 | — | — | 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-20110105506-A1 | Diaminoalkane aspartic protease inhibitors | DNPEP, PEPD, ACE | SIGMAR1 4510/4885RAB9A 3108/4885NPC1 1523/4885 |
“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.