Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FDPS | P14324 | 1/20 | 0.68 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.67 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.67 |
| ▸ | NPC1 | O15118 | 2/20 | 0.67 |
| ▸ | RAB9A | P51151 | 2/20 | 0.67 |
| ▸ | MAPT | P10636 | 12/20 | 0.66 |
| ▸ | ALDH1A1 | P00352 | 11/20 | 0.66 |
| ▸ | HPGD | P15428 | 7/20 | 0.66 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.66 |
| ▸ | HTT | P42858 | 3/20 | 0.66 |
| ▸ | LMNA | P02545 | 3/20 | 0.66 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.66 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.66 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.66 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.63 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.63 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.62 |
| ▸ | ATM | Q13315 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | TTR | P02766 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL17831073 | 0.85 | FDPS (0.70) | FDPSCYP2C9NPSR1NPC1RAB9A | |
| SCHEMBL9442186 | 0.84 | FDPS (0.90) | FDPSCYP2C9NPSR1NPC1RAB9A | |
| SCHEMBL12259154 | 0.84 | ALDH1A1 (0.70) | FDPSCYP2C9NPSR1NPC1RAB9A | |
| SCHEMBL6375790 | 0.83 | FDPS (0.68) | FDPSCYP2C9NPSR1NPC1RAB9A | |
| SCHEMBL686103 | 0.83 | FDPS (0.81) | FDPSCYP2C9NPSR1NPC1RAB9A | |
| SCHEMBL8719147 | 0.82 | FDPS (0.87) | FDPSCYP2C9NPSR1NPC1RAB9A | |
| SCHEMBL9442183 | 0.82 | FDPS (0.87) | FDPSCYP2C9NPSR1NPC1RAB9A | |
| SCHEMBL5973815 | 0.82 | FDPS (1.00) | FDPSCYP2C9NPSR1NPC1RAB9A | |
| SCHEMBL28668979 | 0.82 | ALDH1A1 (0.78) | FDPSCYP2C9NPSR1NPC1RAB9A | |
| SCHEMBL6963840 | 0.81 | FDPS (0.79) | FDPSCYP2C9NPSR1NPC1RAB9A |
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-20160171150-A1 | Chemical Modulators of Pro-Apoptotic BAX and BCL-2 Polypeptides | DANA-FARBER CANCER INSTITUTE, INC. | 2016-06-16 | — | — | US | disclosed |