Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | CFD | P00746 | 2/20 | 0.37 |
| ▸ | APP | P05067 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.35 |
| ▸ | AOX1 | Q06278 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | PTPN1 | P18031 | 4/20 | 0.33 |
| ▸ | UNG | P13051 | 1/20 | 0.33 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.33 |
| ▸ | PTPN2 | P17706 | 2/20 | 0.33 |
| ▸ | PTPN6 | P29350 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8847321 | 0.84 | CFD (0.46) | NPC1CYP2C9RAB9ANPSR1CFD | |
| SCHEMBL8847055 | 0.76 | NPC1 (0.36) | NPC1CYP2C9RAB9ANPSR1CFD | |
| SCHEMBL8847044 | 0.75 | KDM4E (0.57) | NPC1CYP2C9RAB9ANPSR1CFD | |
| SCHEMBL15170288 | 0.75 | CFD (0.65) | NPC1CYP2C9RAB9ANPSR1CFD | |
| SCHEMBL8847071 | 0.75 | CFD (0.44) | NPC1CYP2C9RAB9ANPSR1CFD | |
| SCHEMBL8847020 | 0.75 | CFD (0.44) | NPC1CYP2C9RAB9ANPSR1CFD | |
| SCHEMBL8846989 | 0.74 | KMT2A (0.46) | NPC1CYP2C9RAB9ANPSR1CFD | |
| SCHEMBL30589393 | 0.74 | ALDH1A1 (0.52) | NPC1CYP2C9RAB9ANPSR1ALDH1A1 | |
| SCHEMBL4613992 | 0.74 | ALDH1A1 (0.52) | NPC1CYP2C9RAB9ANPSR1ALDH1A1 | |
| SCHEMBL19640089 | 0.71 | FGFR1 (0.44) | NPC1CYP2C9RAB9ANPSR1CFD |
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 |