Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.63 |
| ▸ | NPC1 | O15118 | 1/20 | 0.63 |
| ▸ | RAB9A | P51151 | 1/20 | 0.63 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | FDPS | P14324 | 1/20 | 0.50 |
| ▸ | PTPN11 | Q06124 | 5/20 | 0.49 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.46 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8847014 | 0.98 | CYP2C9 (0.61) | CYP2C9NPC1RAB9ANPSR1ALDH1A1 | |
| SCHEMBL8847017 | 0.98 | CYP2C9 (0.61) | CYP2C9NPC1RAB9ANPSR1ALDH1A1 | |
| SCHEMBL8846892 | 0.98 | CYP2C9 (0.61) | CYP2C9NPC1RAB9ANPSR1ALDH1A1 | |
| SCHEMBL8847322 | 0.98 | CYP2C9 (0.61) | CYP2C9NPC1RAB9ANPSR1ALDH1A1 | |
| SCHEMBL8846763 | 0.97 | CYP2C9 (0.67) | CYP2C9NPC1RAB9ANPSR1ALDH1A1 | |
| SCHEMBL8846848 | 0.95 | CYP2C9 (0.60) | CYP2C9NPC1RAB9ANPSR1ALDH1A1 | |
| SCHEMBL558018 | 0.91 | CYP2C9 (0.55) | CYP2C9NPC1RAB9ANPSR1ALDH1A1 | |
| SCHEMBL3568653 | 0.89 | CYP2C9 (0.59) | CYP2C9NPC1RAB9ANPSR1ALDH1A1 | |
| SCHEMBL7906879 | 0.88 | CYP2C9 (0.65) | CYP2C9NPC1RAB9ANPSR1ALDH1A1 | |
| SCHEMBL8847109 | 0.88 | CYP2C9 (0.53) | CYP2C9NPC1RAB9ANPSR1ALDH1A1 |
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-5599974-A | ALDEHYDE AND ACID CONTAINING COMPOUNDS BOND WITH VALINE, ARGININE, AND LYSINE OF HEMOGLOBIN MOLECULE TO MODIFY MOLECULE | CENTER FOR INNOVATIVE TECHNOLOGY (US) | 1997-02-04 | — | — | US | disclosed |