Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | ERN1 | O75460 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.32 |
| ▸ | DCPS | Q96C86 | 1/20 | 0.32 |
| ▸ | BACE1 | P56817 | 4/20 | 0.31 |
| ▸ | EGLN2 | Q96KS0 | 1/20 | 0.31 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL21383166 | 0.83 | CYP1A2 (0.55) | CYP1A2CYP3A4CYP2C8CYP2C9CYP2C19 | |
| SCHEMBL23279451 | 0.78 | CYP1A2 (0.52) | CYP1A2CYP3A4CYP2C8CYP2C9CYP2C19 | |
| SCHEMBL16075540 | 0.78 | CYP1A2 (0.60) | CYP1A2CYP3A4CYP2C8CYP2C9CYP2C19 | |
| SCHEMBL27188138 | 0.78 | CYP1A2 (0.58) | CYP1A2CYP3A4CYP2C8CYP2C9CYP2C19 | |
| SCHEMBL23279413 | 0.77 | CYP1A2 (0.51) | CYP1A2CYP3A4CYP2C8CYP2C9CYP2C19 | |
| SCHEMBL22905459 | 0.77 | CYP1A2 (0.57) | CYP1A2CYP3A4CYP2C8CYP2C9CYP2C19 | |
| SCHEMBL27188166 | 0.77 | CYP1A2 (0.57) | CYP1A2CYP3A4CYP2C8CYP2C9CYP2C19 | |
| SCHEMBL16710476 | 0.75 | CYP1A2 (0.52) | CYP1A2CYP3A4CYP2C8CYP2C9CYP2C19 | |
| SCHEMBL16075537 | 0.75 | CYP1A2 (0.52) | CYP1A2CYP3A4CYP2C8CYP2C9CYP2C19 | |
| SCHEMBL16075536 | 0.75 | CYP1A2 (0.49) | CYP1A2CYP3A4CYP2C8CYP2C9CYP2C19 |
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-2019182938-A1 | AROMATIC ALDEHYDES WITH SUSTAINED AND ENHANCED IN VITRO AND IN VIVO PHARMACOLOGIC ACTIVITY TO TREAT SICKLE CELL DISEASE | VIRGINIA COMMONWEALTH UNIVERSITY (US) | 2019-09-26 | — | — | WO | disclosed |