Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 4/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
| ▸ | FABP7 | O15540 | 1/20 | 0.39 |
| ▸ | FABP5 | Q01469 | 1/20 | 0.39 |
| ▸ | BCHE | P06276 | 1/20 | 0.39 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.38 |
| ▸ | HSPA5 | P11021 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | NAAA | Q02083 | 1/20 | 0.38 |
| ▸ | MIF | P14174 | 1/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6354197 | 0.80 | AKR1B1 (0.42) | ALDH1A1KDM4EHPGDAKR1B1HSD17B10 | |
| SCHEMBL5049441 | 0.78 | CYP19A1 (0.71) | CYP19A1ALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL6411668 | 0.78 | AKR1B1 (0.44) | ALDH1A1KDM4EHPGDAKR1B1HSD17B10 | |
| SCHEMBL27562521 | 0.77 | THRA (0.46) | ALDH1A1KDM4EHPGDAKR1B1HSD17B10 | |
| SCHEMBL1301606 | 0.77 | CYP19A1 (0.71) | CYP19A1ALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL27820726 | 0.77 | CYP19A1 (0.71) | CYP19A1ALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL29349625 | 0.75 | AKR1B1 (0.65) | AKR1B1HSPA5 | |
| SCHEMBL2228365 | 0.75 | AKR1B1 (0.65) | AKR1B1HSPA5 | |
| SCHEMBL6761969 | 0.75 | CYP19A1 (0.66) | CYP19A1ALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL17684940 | 0.73 | CYP19A1 (0.63) | CYP19A1ALDH1A1KDM4EHPGDHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101663270-A | Quaternary ammonium compounds useful as muscarinic receptor antagonists | THERAVANCE INC | 2010-03-03 | — | — | CN | disclosed |