Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | FNTA | P49354 | 1/20 | 0.44 |
| ▸ | FNTB | P49356 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 4/20 | 0.42 |
| ▸ | CA2 | P00918 | 4/20 | 0.42 |
| ▸ | CA4 | P22748 | 4/20 | 0.42 |
| ▸ | CA9 | Q16790 | 4/20 | 0.42 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL538865 | 1.00 | ALDH1A1 (0.56) | ALDH1A1FNTAFNTBCA1CA2 | |
| SCHEMBL3107844 | 1.00 | ALDH1A1 (0.56) | ALDH1A1FNTAFNTBCA1CA2 | |
| SCHEMBL15625954 | 0.81 | CA1 (0.53) | FNTAFNTBCA1CA2CA4 | |
| SCHEMBL21034464 | 0.78 | FAAH (0.42) | CA1CA2CA4CA9ABCB1 | |
| SCHEMBL21034463 | 0.78 | FAAH (0.42) | CA1CA2CA4CA9ABCB1 | |
| SCHEMBL7130391 | 0.77 | CA1 (0.42) | ALDH1A1CA1CA2CA4CA9 | |
| SCHEMBL7130401 | 0.77 | CA1 (0.42) | ALDH1A1CA1CA2CA4CA9 | |
| SCHEMBL7121380 | 0.77 | L3MBTL1 (0.59) | ALDH1A1CA1CA2CA4CA9 | |
| SCHEMBL7121377 | 0.77 | L3MBTL1 (0.59) | ALDH1A1CA1CA2CA4CA9 | |
| SCHEMBL7130397 | 0.76 | SMN1; SMN2 (0.46) | FNTAFNTBCA1CA2CA4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012045007-A1 | METHOD OF PREPARATION OF (4 - {4 -ACETYLAMINO- 2 - [3- ( 2 - ISOPROPYL - THIAZOL - 4 - YLMETHYL) - 3 -METHYL - UREIDO] - BUTYRYL AMINO} -1 -BENZYL- 5 -PHENYL- PENTYL) -CARBAMIC ACID THIAZOL - 5 - YLMETHYL ESTER | GILEAD SCIENCES, INC. (US) | 2012-04-05 | — | — | WO | disclosed |