Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | PDE5A | O76074 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.32 |
| ▸ | ALDH1A3 | P47895 | 3/20 | 0.32 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.32 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.32 |
| ▸ | GRIA3 | P42263 | 1/20 | 0.32 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
| ▸ | IAPP | P10997 | 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 | |
|---|---|---|---|---|
| SCHEMBL5971645 | 0.82 | TYR (0.44) | RAB9AALDH1A1TSHRGAAPTGS2 | |
| SCHEMBL18200194 | 0.80 | TLR8 (0.38) | ALDH1A1TLR8GAAPDE5A | |
| SCHEMBL5971619 | 0.79 | NFE2L2 (0.35) | TLR8BACE1ALDH1A3IAPP | |
| SCHEMBL5971508 | 0.79 | ERN1 (0.44) | RAB9AALDH1A1PTGS2IAPP | |
| SCHEMBL17345596 | 0.79 | IRAK4 (0.37) | NPC1PKMRAB9AALDH1A1TSHR | |
| SCHEMBL15989287 | 0.77 | ALDH3A1 (0.49) | ALDH1A1PTGS2BACE1ALDH1A3 | |
| SCHEMBL17345594 | 0.77 | ALDH1A1 (0.43) | NPC1PKMRAB9AALDH1A1TSHR | |
| SCHEMBL823127 | 0.76 | ALDH1A1 (0.50) | NPC1PKMRAB9AALDH1A1TSHR | |
| SCHEMBL20556305 | 0.74 | RARB (0.43) | ALDH1A1ESR1PTGS2 | |
| SCHEMBL20556511 | 0.74 | RARB (0.43) | ALDH1A1ESR1PTGS2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9663475-B2 | 2 amino-3,4-dihydrcquinazoline derivatives and the use thereof as cathepsin D inhibitors | MERCK PATENT GMBH (DE) | 2017-05-30 | — | — | US | disclosed |
| US-20150361053-A1 | 2 AMINO-3,4-DIHYDRCQUINAZOLINE DERIVATIVES AND THE USE THEREOF AS CATHEPSIN D INHIBITORS | MERCK PATENT GMBH (DE) | 2015-12-17 | — | — | 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-20150361053-A1 | 2 AMINO-3,4-DIHYDRCQUINAZOLINE DERIVATIVES AND THE USE THEREOF AS CATHEPSIN D INHIBITORS | CTSD, CTSZ, CTSK | NPC1 2552/4885PKM 2679/4885RAB9A 1684/4885 |
“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.