Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 5/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | ANPEP | P15144 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3585503 | 1.00 | SMN1; SMN2 (0.42) | SMN1; SMN2USP2HPGDTP53ALOX12 | |
| SCHEMBL4975322 | 1.00 | SMN1; SMN2 (0.42) | SMN1; SMN2USP2HPGDTP53ALOX12 | |
| SCHEMBL27709407 | 0.95 | SMN1; SMN2 (0.46) | SMN1; SMN2USP2HPGDTP53ALOX12 | |
| SCHEMBL3590442 | 0.95 | SMN1; SMN2 (0.46) | SMN1; SMN2USP2HPGDTP53ALOX12 | |
| SCHEMBL3590446 | 0.95 | SMN1; SMN2 (0.46) | SMN1; SMN2USP2HPGDTP53ALOX12 | |
| SCHEMBL936034 | 0.76 | GRIN2D (0.43) | SMN1; SMN2USP2HPGDTP53ALOX12 | |
| SCHEMBL27689737 | 0.76 | CYP2D6 (0.50) | ANPEPCYP2D6 | |
| SCHEMBL3599048 | 0.76 | CYP2D6 (0.50) | ANPEPCYP2D6 | |
| SCHEMBL3599047 | 0.76 | CYP2D6 (0.50) | ANPEPCYP2D6 | |
| SCHEMBL3607476 | 0.75 | ANPEP (0.37) | SMN1; SMN2USP2HPGDTP53ALOX12 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8487108-B2 | Piperidinyl carbamate intermediates for the synthesis of aspartic protease inhibitors | VITAE PHARMACEUTICALS, INC. (US) | 2013-07-16 | — | — | US | disclosed |
| US-8455521-B2 | Diaminoalkane aspartic protease inhibitors | VITAE PHARMACEUTICALS, INC. (US) | 2013-06-04 | — | — | US | disclosed |
| EP-1966139-B1 | ASPARTIC PROTEASE INHIBITORS | VITAE PHARMACEUTICALS INC (US) | 2011-12-21 | — | — | EP | disclosed |
| US-7754737-B2 | Diaminoalkane aspartic protease inhibitors | VITAE PHARMACEUTICALS, INC. (US) | 2010-07-13 | — | — | US | disclosed |
| US-20100048636-A1 | Aspartic Protease Inhibitors | VITAE PHARMACEUTICALS, INC. | 2010-02-25 | — | — | US | disclosed |
| US-20090018103-A1 | Diaminoalkane Aspartic Protease Inhibitors | VITAE PHARMACEUTICAL, INC (US) | 2009-01-15 | — | — | US | disclosed |
| EP-1966139-A1 | ASPARTIC PROTEASE INHIBITORS | Vitae Pharmaceuticals, Inc. (US) | 2008-09-10 | — | — | EP | disclosed |
| EP-1807078-A1 | DIAMINOALKANE ASPARTIC PROTEASE INHIBITORS | Vitae Pharmaceuticals, Inc. (US) | 2007-07-18 | — | — | EP | disclosed |
| WO-2007070201-A1 | ASPARTIC PROTEASE INHIBITORS | VITAE PHARMACEUTICALS, INC. (US) | 2007-06-21 | — | — | WO | 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 (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-20100048636-A1 | Aspartic Protease Inhibitors | DNPEP, PEPD, SERPINB1 | SMN1; SMN2 1372/4885USP2 534/4885HPGD 694/4885 |
| US-20090018103-A1 | Diaminoalkane Aspartic Protease Inhibitors | DNPEP, PEPD, ACE | SMN1; SMN2 1477/4885USP2 692/4885HPGD 712/4885 |
“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.