Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 2/20 | 0.55 |
| ▸ | HTR2B | P41595 | 2/20 | 0.55 |
| ▸ | HTR2C | P28335 | 1/20 | 0.55 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | SCN8A | Q9UQD0 | 1/20 | 0.48 |
| ▸ | BCHE | P06276 | 4/20 | 0.47 |
| ▸ | BACE1 | P56817 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL5125697 | 0.96 | HTR2A (0.56) | HTR2AHTR2BHTR2CSIGMAR1TP53 | |
| SCHEMBL161260 | 0.80 | BACE1 (0.62) | HTR2AHTR2BHTR2CBCHEBACE1 | |
| SCHEMBL3455222 | 0.80 | BACE1 (0.62) | HTR2AHTR2BHTR2CBCHEBACE1 | |
| SCHEMBL8276492 | 0.80 | BACE1 (0.62) | HTR2AHTR2BHTR2CBCHEBACE1 | |
| SCHEMBL13965832 | 0.79 | HTR2A (0.58) | HTR2AHTR2BHTR2CSIGMAR1TP53 | |
| SCHEMBL22579188 | 0.79 | KDM4E (0.63) | HTR2AHTR2BHTR2CSIGMAR1TP53 | |
| Hydrochloric Acid SCHEMBL2499284 | 0.79 | BACE1 (0.61) | HTR2AHTR2BHTR2CBCHEBACE1 | |
| SCHEMBL4245195 | 0.78 | DPP7 (0.55) | HTR2AHTR2BHTR2CSCN8ABCHE | |
| SCHEMBL5117521 | 0.78 | HTR2A (0.50) | HTR2AHTR2BHTR2CSIGMAR1TP53 | |
| SCHEMBL3164040 | 0.77 | HTR2A (0.68) | HTR2AHTR2BHTR2CSIGMAR1TP53 |
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 | HTR2A 637/4885HTR2B 463/4885HTR2C 1487/4885 |
“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.