Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 3/20 | 0.57 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.57 |
| ▸ | KMO | O15229 | 2/20 | 0.53 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.51 |
| ▸ | FOLH1 | Q04609 | 2/20 | 0.49 |
| ▸ | RXRA | P19793 | 2/20 | 0.47 |
| ▸ | RXRB | P28702 | 2/20 | 0.47 |
| ▸ | DDT | P30046 | 1/20 | 0.47 |
| ▸ | TTR | P02766 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.45 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL3201162 | 0.88 | NR1H4 (0.59) | AKR1C3AKR1C2KMONR1H4FOLH1 | |
| SCHEMBL9797568 | 0.87 | AKR1C3 (0.55) | AKR1C3AKR1C2KMONR1H4FOLH1 | |
| Hydrochloric Acid SCHEMBL3852306 | 0.87 | NR1H4 (0.58) | AKR1C3AKR1C2KMONR1H4FOLH1 | |
| SCHEMBL9599411 | 0.85 | FOLH1 (0.55) | AKR1C3AKR1C2KMONR1H4FOLH1 | |
| SCHEMBL28784391 | 0.85 | PARP1 (0.51) | AKR1C3AKR1C2 | |
| SCHEMBL29006752 | 0.84 | AKR1C3 (0.43) | AKR1C3AKR1C2KMONR1H4FOLH1 | |
| SCHEMBL30435292 | 0.84 | AKR1C3 (0.43) | AKR1C3AKR1C2KMONR1H4FOLH1 | |
| Hydrochloric Acid SCHEMBL18138750 | 0.84 | PARP1 (0.50) | AKR1C3AKR1C2 | |
| SCHEMBL6252539 | 0.83 | AKR1C3 (0.68) | AKR1C3AKR1C2KMONR1H4FOLH1 | |
| SCHEMBL28372111 | 0.82 | AKR1C3 (0.63) | AKR1C3AKR1C2KMONR1H4FOLH1 |
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-2010143733-A1 | NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-12-16 | — | — | WO | disclosed |