Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | NOS3 | P29474 | 1/20 | 0.46 |
| ▸ | NOS1 | P29475 | 1/20 | 0.46 |
| ▸ | NOS2 | P35228 | 1/20 | 0.46 |
| ▸ | CTSA | P10619 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | FGFR3 | P22607 | 1/20 | 0.38 |
| ▸ | RIOK2 | Q9BVS4 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
| ▸ | PYGL | P06737 | 1/20 | 0.37 |
| ▸ | PYGM | P11217 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.37 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4942782 | 0.86 | RECQL (0.46) | SMYD3ALDH1A1MAPTL3MBTL1KDM4E | |
| SCHEMBL17169790 | 0.85 | ALDH1A1 (0.46) | SMYD3ALDH1A1MAPTL3MBTL1KDM4E | |
| Hydrochloric Acid SCHEMBL17161694 | 0.83 | ALDH1A1 (0.45) | SMYD3ALDH1A1MAPTL3MBTL1CTSA | |
| SCHEMBL14754861 | 0.83 | SMYD3 (0.43) | SMYD3ALDH1A1MAPTL3MBTL1NOS3 | |
| SCHEMBL12509819 | 0.83 | ALDH1A1 (0.42) | SMYD3ALDH1A1MAPTL3MBTL1KDM4E | |
| SCHEMBL24252514 | 0.82 | ALDH1A1 (0.41) | ALDH1A1MAPTL3MBTL1KDM4EFGFR3 | |
| SCHEMBL221963 | 0.80 | ALDH1A1 (0.55) | SMYD3ALDH1A1MAPTL3MBTL1NOS3 | |
| SCHEMBL6173009 | 0.80 | SMYD3 (0.51) | SMYD3ALDH1A1MAPTL3MBTL1NOS3 | |
| SCHEMBL30281240 | 0.80 | ALDH1A1 (0.55) | SMYD3ALDH1A1MAPTL3MBTL1NOS3 | |
| Hydrochloric Acid SCHEMBL968208 | 0.79 | ALDH1A1 (0.53) | SMYD3ALDH1A1MAPTL3MBTL1NOS3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160022685-A1 | HETEROCYCLYLAMINES AS PI3K INHIBITORS | INCYTE CORPORATION | 2016-01-28 | — | — | US | disclosed |
| US-20130059835-A1 | HETEROCYCLYLAMINES AS PI3K INHIBITORS | INCYTE CORPORATION (US) | 2013-03-07 | — | — | US | disclosed |
| US-20120071461-A1 | Substituted Benzamide Compounds | GRUENENTHAL GMBH (DE) | 2012-03-22 | — | — | 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 (3 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-20160022685-A1 | HETEROCYCLYLAMINES AS PI3K INHIBITORS | PIK3CA, PIK3CD, PIK3CB | SMYD3 1123/4885ALDH1A1 3232/4885MAPT 4386/4885 |
| US-20130059835-A1 | HETEROCYCLYLAMINES AS PI3K INHIBITORS | PIK3CA, PIK3CD, PIK3CB | SMYD3 1123/4885ALDH1A1 3232/4885MAPT 4386/4885 |
| US-20120071461-A1 | Substituted Benzamide Compounds | BDKRB1, BDKRB2, HRH2 | SMYD3 2447/4885ALDH1A1 1267/4885MAPT 3149/4885 |
“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.