Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA4 | P22748 | 1/20 | 0.50 |
| ▸ | LTA4H | P09960 | 2/20 | 0.48 |
| ▸ | ACP3 | P15309 | 1/20 | 0.45 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.41 |
| ▸ | PPARG | P37231 | 1/20 | 0.41 |
| ▸ | PPARA | Q07869 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL3294416 | 0.95 | CA4 (0.46) | CA4LTA4HACP3TRPA1MAPT | |
| SCHEMBL4865335 | 0.85 | SRD5A2 (0.42) | MAPTCYP3A4ALOX15KDM4EFFAR1 | |
| SCHEMBL3291158 | 0.85 | SLC6A4 (0.39) | LTA4HMAPTALDH1A1CYP3A4ALOX15 | |
| SCHEMBL3295618 | 0.83 | MAOB (0.44) | CA4NPC1RAB9AALDH1A1L3MBTL1 | |
| SCHEMBL10873257 | 0.81 | CA1 (0.46) | ACP3MAPTALDH1A1L3MBTL1CYP3A4 | |
| SCHEMBL3294031 | 0.80 | NPSR1 (0.41) | NPSR1ALDH1A1PPARGPPARAALOX12 | |
| SCHEMBL8163510 | 0.79 | CYP1A2 (0.42) | PPARGPPARACYP3A4 | |
| SCHEMBL24065953 | 0.78 | MAPT (0.53) | CA4LTA4HACP3TRPA1MAPT | |
| SCHEMBL3292013 | 0.77 | CA4 (0.40) | CA4TRPA1NPSR1ALDH1A1L3MBTL1 | |
| SCHEMBL3295214 | 0.76 | SLC6A4 (0.46) | PPARGPPARATDP1 |
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-7732365-B2 | Enantioselective amination and etherification | YALE UNIVERSITY (US) | 2010-06-08 | — | — | US | disclosed |
| US-20060199728-A1 | Enantioselective amination and etherification | YALE UNIVERSITY (US) | 2006-09-07 | — | — | US | disclosed |