Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 3/20 | 0.32 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 2/20 | 0.31 |
| ▸ | NR2F2 | P24468 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL14980631 | 0.84 | CYP2D6 (0.35) | ALDH1A1KMT2AMEN1CRBNCYP2C19 | |
| SCHEMBL12246565 | 0.81 | CYP2D6 (0.33) | ALDH1A1KMT2AMEN1CYP2C19CYP3A4 | |
| SCHEMBL16611012 | 0.76 | CYP2D6 (0.51) | ALDH1A1KMT2AMEN1CYP2C19CYP3A4 | |
| SCHEMBL16611014 | 0.76 | CYP2D6 (0.51) | ALDH1A1KMT2AMEN1CYP2C19CYP3A4 | |
| SCHEMBL16611088 | 0.76 | CYP2D6 (0.51) | ALDH1A1KMT2AMEN1CYP2C19CYP3A4 | |
| SCHEMBL1821908 | 0.74 | ALDH1A1 (0.43) | ALDH1A1KMT2AMEN1CRBNCYP2C19 | |
| SCHEMBL1133701 | 0.74 | CYP2D6 (0.36) | ALDH1A1KMT2AMEN1CYP2C19CYP3A4 | |
| SCHEMBL21760775 | 0.74 | CYP2D6 (0.36) | ALDH1A1KMT2AMEN1CYP2C19CYP3A4 | |
| SCHEMBL1845464 | 0.74 | CYP2D6 (0.36) | ALDH1A1KMT2AMEN1CYP2C19CYP3A4 | |
| SCHEMBL30720750 | 0.74 | CYP2D6 (0.31) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8921359-B2 | Inhibitors of beta-secretase | VITAE PHARMACEUTICALS, INC. (US) | 2014-12-30 | — | — | US | disclosed |
| EP-2324032-B1 | INHIBITORS OF BETA-SECRETASE | VITAE PHARMACEUTICALS INC (US) | 2014-10-01 | — | — | EP | disclosed |
| US-20130317014-A1 | INHIBITORS OF BETA-SECRETASE | VITAE PHARMACEUTICALS, INC. | 2013-11-28 | — | — | US | disclosed |
| US-8450308-B2 | Inhibitors of beta-secretase | VITAE PHARMACEUTICALS, INC. (US) | 2013-05-28 | — | — | US | disclosed |
| US-20110218192-A1 | Inhibitors Of Beta-Secretase | VITAE PHARMACEUTICALS, INC. (US) | 2011-09-08 | — | — | US | disclosed |
| WO-2010021680-A2 | INHIBITORS OF BETA-SECRETASE | VITAE PHARMACEUTICALS, INC. (US) | 2010-02-25 | — | — | 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-20110218192-A1 | Inhibitors Of Beta-Secretase | BACE1, BACE2, APP | ALDH1A1 2484/4885KMT2A 3252/4885MEN1 813/4885 |
| US-20130317014-A1 | INHIBITORS OF BETA-SECRETASE | BACE1, BACE2, APP | ALDH1A1 2484/4885KMT2A 3252/4885MEN1 813/4885 |
“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.