Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | CFD | P00746 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | AOX1 | Q06278 | 1/20 | 0.40 |
| ▸ | APP | P05067 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | UNG | P13051 | 1/20 | 0.39 |
| ▸ | FDPS | P14324 | 1/20 | 0.38 |
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 | 0.85 | CFD (0.46) | NPC1CYP2C9RAB9ANPSR1KDM4E | |
| SCHEMBL8847044 | 0.82 | KDM4E (0.57) | KMT2ANPC1CYP2C9RAB9ANPSR1 | |
| SCHEMBL8847020 | 0.82 | CFD (0.44) | NPC1CYP2C9RAB9ANPSR1KDM4E | |
| SCHEMBL15170288 | 0.82 | CFD (0.65) | NPC1CYP2C9RAB9ANPSR1KDM4E | |
| SCHEMBL8847071 | 0.82 | CFD (0.44) | NPC1CYP2C9RAB9ANPSR1KDM4E | |
| SCHEMBL19640089 | 0.81 | FGFR1 (0.44) | NPC1CYP2C9RAB9ANPSR1KDM4E | |
| SCHEMBL8846848 | 0.80 | CYP2C9 (0.60) | KMT2ANPC1CYP2C9RAB9ANPSR1 | |
| SCHEMBL8847109 | 0.80 | CYP2C9 (0.53) | NPC1CYP2C9RAB9ANPSR1KDM4E | |
| SCHEMBL8846763 | 0.79 | CYP2C9 (0.67) | KMT2ANPC1CYP2C9RAB9ANPSR1 | |
| SCHEMBL8846902 | 0.79 | CYP2C9 (0.63) | KMT2ANPC1CYP2C9RAB9ANPSR1 |
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 |