Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.49 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.49 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.46 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.46 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.43 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | CPB1 | P15086 | 1/20 | 0.43 |
| ▸ | DGAT1 | O75907 | 3/20 | 0.42 |
| ▸ | MGLL | Q99685 | 1/20 | 0.42 |
| ▸ | HSD11B1 | P28845 | 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 | |
|---|---|---|---|---|
| SCHEMBL1865557 | 1.00 | AKR1C3 (0.49) | AKR1C3AKR1C1MCL1SRD5A2MTNR1A | |
| SCHEMBL1865563 | 1.00 | AKR1C3 (0.49) | AKR1C3AKR1C1MCL1SRD5A2MTNR1A | |
| SCHEMBL2980743 | 0.92 | AKR1C3 (0.56) | AKR1C3AKR1C1MCL1HTR2ACPB1 | |
| SCHEMBL2980746 | 0.92 | AKR1C3 (0.56) | AKR1C3AKR1C1MCL1HTR2ACPB1 | |
| SCHEMBL2980744 | 0.92 | AKR1C3 (0.56) | AKR1C3AKR1C1MCL1HTR2ACPB1 | |
| SCHEMBL3113279 | 0.86 | SRD5A2 (0.58) | MCL1SRD5A2HTR2ACPB1MGLL | |
| SCHEMBL1748075 | 0.84 | SRD5A2 (0.46) | SRD5A2MGLLHSD11B1 | |
| SCHEMBL1748074 | 0.84 | SRD5A2 (0.46) | SRD5A2MGLLHSD11B1 | |
| SCHEMBL1748073 | 0.84 | SRD5A2 (0.46) | SRD5A2MGLLHSD11B1 | |
| SCHEMBL7279058 | 0.84 | MGLL (0.48) | MCL1SRD5A2HTR2ACPB1MGLL |
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-8455521-B2 | Diaminoalkane aspartic protease inhibitors | VITAE PHARMACEUTICALS, INC. (US) | 2013-06-04 | — | — | US | disclosed |
| US-20110105506-A1 | Diaminoalkane aspartic protease inhibitors | VITAE PHARMACEUTICALS, INC. | 2011-05-05 | — | — | 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 (2 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 | AKR1C3 1771/4885AKR1C1 1444/4885MCL1 2423/4885 |
| US-20090018103-A1 | Diaminoalkane Aspartic Protease Inhibitors | DNPEP, PEPD, ACE | AKR1C3 1771/4885AKR1C1 1444/4885MCL1 2423/4885 |
“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.