Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.53 |
| ▸ | TLR8 | Q9NR97 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | NTRK2 | Q16620 | 1/20 | 0.42 |
| ▸ | LIMK1 | P53667 | 2/20 | 0.40 |
| ▸ | AKR1C3 | P42330 | 6/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | MEP1B | Q16820 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.38 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.38 |
| ▸ | ABCC2 | Q92887 | 1/20 | 0.38 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.38 |
| ▸ | UGT1A7 | Q9HAW7 | 1/20 | 0.38 |
| ▸ | SLC22A11 | Q9NSA0 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL5124899 | 0.92 | CYP2C19 (0.44) | CYP2C19TLR8CYP1A2NTRK2LIMK1 | |
| Hydrochloric Acid SCHEMBL5130464 | 0.88 | CYP1A2 (0.40) | CYP2C19CYP1A2LIMK1AKR1C3RAB9A | |
| SCHEMBL7608105 | 0.84 | CYP1A2 (0.46) | CYP1A2LIMK1RAB9ANPC1CA12 | |
| SCHEMBL5124718 | 0.80 | CYP2C19 (0.56) | CYP2C19CYP1A2NTRK2AKR1C3MEP1B | |
| SCHEMBL13306191 | 0.80 | NTRK2 (0.41) | CYP1A2NTRK2LIMK1RAB9ACA12 | |
| SCHEMBL27613909 | 0.79 | CA2 (0.48) | CYP2C19TLR8CYP1A2LIMK1RAB9A | |
| SCHEMBL7115213 | 0.74 | MLYCD (0.43) | NTRK2PKM | |
| SCHEMBL2953707 | 0.73 | TPMT (0.53) | SMN1; SMN2 | |
| SCHEMBL3886133 | 0.73 | MLYCD (0.45) | NTRK2RAB9ANPC1ALDH1A1CA12 | |
| SCHEMBL14376244 | 0.73 | CA12 (0.50) | RAB9AALDH1A1CA12CA2SMN1; SMN2 |
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-20080161325-A1 | e.g. N1-[3-amino-4-(3,5-difluorophenyl)-2-hydroxybutyl]-3-(butylsulfonyl)-N1-(3-ethylbenzyl)-D-alaninamide dihydrochloride; inhibitors of amyloid beta-secretase enzyme; neurodegenerative diseases: Alzheimer's, Parkinson's diseases, Down's syndrome | ELAN PHARMACEUTICALS, INC. | 2008-07-03 | — | — | US | disclosed |
| US-7294642-B2 | 1,3-Diamino-2-hydroxypropane pro-drug derivatives | ELAN PHARMACEUTICALS, INC. (US) | 2007-11-13 | — | — | 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-20080161325-A1 | e.g. N1-[3-amino-4-(3,5-difluorophenyl)-2-hydroxybutyl]-3-(butylsulfonyl)-N1-(3-ethylbenzyl)-D-alaninamide dihydrochloride; inhibitors of amyloid beta-secretase enzyme; neurodegenerative diseases: Alzheimer's, Parkinson's diseases, Down's syndrome | BACE1, APP, BACE2 | CYP2C19 2654/4885TLR8 4878/4885CYP1A2 2519/4885 |
“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.