Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 4/20 | 0.43 |
| ▸ | AKR1C2 | P52895 | 4/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | HTR2C | P28335 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | FABP2 | P12104 | 1/20 | 0.34 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.34 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.34 |
| ▸ | DRD3 | P35462 | 1/20 | 0.34 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL19901479 | 0.91 | AKR1C3 (0.41) | AKR1C3AKR1C2PTGS1PTGS2MEN1 | |
| SCHEMBL15856349 | 0.84 | AKR1C3 (0.38) | AKR1C3AKR1C2PTGS2ESR1ESR2 | |
| SCHEMBL15856345 | 0.84 | AKR1C3 (0.38) | AKR1C3AKR1C2PTGS2ESR1ESR2 | |
| SCHEMBL19901436 | 0.84 | AKR1C3 (0.40) | AKR1C3AKR1C2PTGS1PTGS2MEN1 | |
| SCHEMBL19901435 | 0.83 | AKR1C3 (0.42) | AKR1C3AKR1C2PTGS1PTGS2MEN1 | |
| SCHEMBL19901408 | 0.83 | AKR1C3 (0.42) | AKR1C3AKR1C2PTGS1PTGS2MEN1 | |
| SCHEMBL15853076 | 0.81 | AKR1C3 (0.36) | AKR1C3AKR1C2ESR1ESR2HSD17B1 | |
| SCHEMBL15853070 | 0.81 | AKR1C3 (0.36) | AKR1C3AKR1C2ESR1ESR2HSD17B1 | |
| SCHEMBL19901407 | 0.81 | AKR1C3 (0.40) | AKR1C3AKR1C2PTGS1PTGS2MEN1 | |
| SCHEMBL15856408 | 0.80 | AKR1C3 (0.39) | AKR1C3AKR1C2ESR1ESR2HSD17B1 |
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 |
|---|---|---|---|---|---|---|---|
| US-9905776-B2 | Pyrene-based compound and organic light-emitting diode comprising the same | SAMSUNG DISPLAY CO., LTD. (KR) | 2018-02-27 | — | — | US | disclosed |