Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.37 |
| ▸ | MGAM | O43451 | 1/20 | 0.37 |
| ▸ | SI | P14410 | 1/20 | 0.37 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.37 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.37 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.37 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.37 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.37 |
| ▸ | FAAH | O00519 | 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 | |
|---|---|---|---|---|
| SCHEMBL6635716 | 0.94 | CYP19A1 (0.46) | CYP19A1MAPK1CA12CA1CA2 | |
| Butane SCHEMBL6048873 | 0.90 | GAA (0.46) | CYP19A1MAPK1CA12CA1CA2 | |
| SCHEMBL2267201 | 0.83 | CYP19A1 (0.50) | CYP19A1MAPK1CA12CA1CA2 | |
| Butane SCHEMBL19690452 | 0.83 | CYP19A1 (0.41) | CYP19A1MAPK1CA12CA1CA2 | |
| SCHEMBL4487325 | 0.81 | PKM (0.39) | CYP19A1MAPK1CA12CA1CA2 | |
| Butane SCHEMBL452621 | 0.81 | GAA (0.44) | GAAMGAMSIMGAM2FAAH | |
| SCHEMBL6322410 | 0.80 | BLM (0.50) | CYP19A1KMT2A | |
| Butane SCHEMBL5526854 | 0.80 | TSHR (0.41) | TDP1GAAMGAMSIMGAM2 | |
| SCHEMBL28099367 | 0.79 | CYP19A1 (0.47) | CYP19A1MAPK1CA12CA1CA2 | |
| SCHEMBL11254147 | 0.79 | KDM4C (0.44) | CYP19A1FAAHALDH1A1NAAA |
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-2004076425-A1 | IMPROVED SYNTHESIS OF MACROCYCLIC TETRAAMIDO COMPOUNDS AND NEW METAL INSERTION PROCESS | CARNEGIE MELLON UNIVERSITY (US) | 2004-09-10 | — | — | WO | disclosed |