Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 9/20 | 0.50 |
| ▸ | AR | P10275 | 4/20 | 0.50 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.50 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.47 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.47 |
| ▸ | MAOA | P21397 | 1/20 | 0.47 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.47 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.44 |
| ▸ | PLK1 | P53350 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL11053787 | 0.84 | ESR1 (0.59) | AR | |
| SCHEMBL6700946 | 0.83 | AR (0.69) | MAOBARCYP19A1HSD17B10KDM4E | |
| SCHEMBL31346172 | 0.82 | ALDH1A1 (0.48) | ARCYP19A1MEN1KMT2A | |
| SCHEMBL25187251 | 0.80 | AR (0.42) | ARCYP19A1HSD17B10KDM4EADORA3 | |
| SCHEMBL6700953 | 0.80 | MAOB (0.69) | MAOBARCYP19A1HSD17B10KDM4E | |
| SCHEMBL25187363 | 0.80 | AR (0.42) | ARCYP19A1HSD17B10KDM4EADORA3 | |
| SCHEMBL10534793 | 0.78 | AR (0.50) | MAOBARCYP19A1HSD17B10KDM4E | |
| SCHEMBL403523 | 0.78 | MAOB (0.65) | MAOBARCYP19A1HSD17B10KDM4E | |
| SCHEMBL32498549 | 0.78 | MAOB (0.65) | MAOBARCYP19A1HSD17B10KDM4E | |
| SCHEMBL14286082 | 0.78 | MAOB (0.52) | MAOBKMT2AGUSB |
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 |
|---|---|---|---|---|---|---|---|
| US-7473786-B1 | Methods and systems for preparing fused heterocyclic compounds using copper(I) catalysts | UNIVERSITY OF MASSACHUSETTS (US) | 2009-01-06 | — | — | US | disclosed |