Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 5/20 | 0.43 |
| ▸ | AKR1C2 | P52895 | 5/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 6/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.40 |
| ▸ | ABCB1 | P08183 | 3/20 | 0.39 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.39 |
| ▸ | AR | P10275 | 2/20 | 0.37 |
| ▸ | AKR1C4 | P17516 | 2/20 | 0.37 |
| ▸ | AKR1C1 | Q04828 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | PTGES | O14684 | 1/20 | 0.37 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.37 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.37 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.37 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.37 |
| ▸ | ALB | P02768 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL20373436 | 0.80 | FLT1 (0.39) | PTGS1PTGS2LMNAKDM4EMAPT | |
| SCHEMBL16896954 | 0.71 | AKR1C3 (0.42) | AKR1C3AKR1C2PTGS1PTGS2MTNR1B | |
| SCHEMBL20373363 | 0.69 | MAPT (0.35) | LMNAMEN1KMT2ACYP1A2MAPT | |
| SCHEMBL20373756 | 0.68 | BRD4 (0.36) | MEN1KMT2AKDM4ECYP2D6CYP2C9 | |
| SCHEMBL20373789 | 0.67 | PDE10A (0.41) | KMT2ACYP1A2 | |
| Acetic Acid SCHEMBL11761270 | 0.63 | AKR1C3 (0.93) | AKR1C3AKR1C2PTGS1PTGS2ABCB1 | |
| SCHEMBL20373745 | 0.63 | SMN1; SMN2 (0.35) | AKR1C3AKR1C2LMNAMEN1KMT2A | |
| SCHEMBL29481380 | 0.61 | AKR1C3 (1.00) | AKR1C3AKR1C2PTGS1PTGS2ABCB1 | |
| SCHEMBL11037919 | 0.61 | AKR1C3 (1.00) | AKR1C3AKR1C2PTGS1PTGS2ABCB1 | |
| SCHEMBL17610037 | 0.61 | CA12 (0.39) | AKR1C3AKR1C2LMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-3092227-B1 | BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS | ORION CORP (FI) | 2018-07-11 | — | — | EP | disclosed |