Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 4/20 | 0.77 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.63 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.63 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.63 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.61 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.61 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.61 |
| ▸ | HTT | P42858 | 1/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.59 |
| ▸ | GPR17 | Q13304 | 1/20 | 0.57 |
| ▸ | MEP1B | Q16820 | 1/20 | 0.56 |
| ▸ | TP53 | P04637 | 1/20 | 0.56 |
| ▸ | HSD11B1 | P28845 | 3/20 | 0.56 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 2/20 | 0.55 |
| ▸ | PKM | P14618 | 1/20 | 0.55 |
| ▸ | RAB9A | P51151 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 1/20 | 0.55 |
| ▸ | HPGD | P15428 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL4070835 | 0.88 | HDAC2 (0.77) | AKR1C3HDAC2HDAC8HDAC6HTT | |
| SCHEMBL1048486 | 0.85 | AKR1C3 (0.66) | AKR1C3HDAC2HDAC8HDAC6HTT | |
| SCHEMBL4662812 | 0.84 | CYP19A1 (0.71) | AKR1C3GPR17TP53CYP19A1LMNA | |
| SCHEMBL27702846 | 0.82 | AKR1C3 (0.91) | AKR1C3HDAC2HDAC8HDAC6HTT | |
| SCHEMBL6066379 | 0.82 | AKR1C3 (0.61) | AKR1C3PTPN1PTPN6PTPN11CYP2C19 | |
| SCHEMBL27670793 | 0.82 | KEAP1 (0.69) | HDAC2HDAC8HDAC6HTTTP53 | |
| SCHEMBL14049658 | 0.82 | AKR1C3 (0.59) | AKR1C3HDAC2HDAC8HDAC6HTT | |
| SCHEMBL5130325 | 0.81 | AKR1C3 (0.79) | AKR1C3HDAC2HDAC8HDAC6HTT | |
| SCHEMBL3885277 | 0.78 | HSD11B1 (0.81) | AKR1C3HTTGPR17HSD11B1LMNA | |
| SCHEMBL10904384 | 0.78 | CYP19A1 (0.70) | HTTGPR17TP53CYP19A1LMNA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1534693-A2 | 1, 3-DIAMINO-2-HYDROXYPROPANE PRODRUG DERIVATIVES | Elan Pharmaceuticals, Inc. (US) | 2005-06-01 | — | — | EP | claimed |
| WO-2004022523-A2 | 1, 3-DIAMINO-2-HYDROXYPROPANE PRODRUG DERIVATIVES | ELAN PHARMACEUTICALS, INC. (US) | 2004-03-18 | — | — | WO | claimed |
| 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 | AKR1C3 2934/4885PTPN1 3898/4885PTPN6 4228/4885 |
“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.