Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACLY | P53396 | 2/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 7/20 | 0.32 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.31 |
| ▸ | TACR1 | P25103 | 1/20 | 0.31 |
| ▸ | PTGS1 | P23219 | 5/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | USP2 | O75604 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 2/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.30 |
| ▸ | FABP2 | P12104 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.30 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.30 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.30 |
| ▸ | HTR2C | P28335 | 1/20 | 0.30 |
| ▸ | DRD3 | P35462 | 1/20 | 0.30 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.30 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.30 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL15856453 | 1.00 | ACLY (0.34) | ACLYPTGS2TAAR1TACR1PTGS1 | |
| SCHEMBL15856412 | 0.97 | ACLY (0.33) | ACLYPTGS2TACR1PTGS1MEN1 | |
| SCHEMBL15856337 | 0.90 | ACLY (0.37) | ACLYSLC6A9 | |
| SCHEMBL15856330 | 0.90 | ACLY (0.37) | ACLYPTGS2TACR1PTGS1MEN1 | |
| SCHEMBL15856461 | 0.90 | AKR1C3 (0.36) | ACLYAKR1C3AKR1C2SLC6A9 | |
| SCHEMBL15856441 | 0.90 | AKR1C3 (0.36) | ACLYAKR1C3AKR1C2SLC6A9 | |
| SCHEMBL15856340 | 0.87 | PPARG (0.36) | AKR1C3AKR1C2CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL15856342 | 0.87 | PPARG (0.36) | AKR1C3AKR1C2CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL15856430 | 0.84 | AKR1C3 (0.38) | ACLYPTGS2PTGS1TSHRAKR1C3 | |
| SCHEMBL15856431 | 0.84 | AKR1C3 (0.38) | ACLYAKR1C3AKR1C2 |
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-20140183468-A1 | PYRENE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING THE SAME | SAMSUNG DISPLAY CO., LTD. (KR) | 2014-07-03 | — | — | US | disclosed |