Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 4/20 | 0.43 |
| ▸ | CA1 | P00915 | 3/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA7 | P43166 | 1/20 | 0.43 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 3/20 | 0.41 |
| ▸ | AR | P10275 | 2/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | DAO | P14920 | 1/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
| ▸ | APLNR | P35414 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9143375 | 0.86 | THRB (0.55) | CA2CA1CYP19A1THRB | |
| SCHEMBL3723662 | 0.85 | HSD17B10 (0.50) | CA2CA1CYP19A1TSHRHSD17B10 | |
| SCHEMBL9750096 | 0.83 | THRB (0.45) | CA2CA1CYP19A1TSHRHSD17B10 | |
| SCHEMBL9554829 | 0.77 | CA2 (0.50) | CA2CA1CYP19A1TSHRHSD17B10 | |
| SCHEMBL9808327 | 0.76 | TSHR (0.41) | CA2CA1CYP19A1TSHRHSD17B10 | |
| SCHEMBL9360680 | 0.76 | CA12 (0.44) | CA2CA1CA12CA7CA13 | |
| SCHEMBL11249663 | 0.74 | CA12 (0.47) | CA2CA1CA12CA7CA13 | |
| SCHEMBL9525070 | 0.74 | MCL1 (0.52) | CA2CA1TSHRHSD17B10HSP90AA1 | |
| SCHEMBL16772463 | 0.74 | CA12 (0.40) | CA2CA1CA12CA7CA13 | |
| SCHEMBL9808197 | 0.74 | MAPT (0.38) | CA2CA1CYP19A1TSHRHSD17B10 |
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-2010127208-A1 | INHIBITORS OF ACETYL-COA CARBOXYLASE | FOREST LABORATORIES HOLDINGS LIMITED (BM) | 2010-11-04 | — | — | WO | disclosed |