Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.49 |
| ▸ | RAB9A | P51151 | 3/20 | 0.49 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.46 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.46 |
| ▸ | RXRA | P19793 | 1/20 | 0.44 |
| ▸ | RXRB | P28702 | 1/20 | 0.44 |
| ▸ | PPARG | P37231 | 1/20 | 0.44 |
| ▸ | RXRG | P48443 | 1/20 | 0.44 |
| ▸ | PPARD | Q03181 | 1/20 | 0.44 |
| ▸ | PPARA | Q07869 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.44 |
| ▸ | RELA | Q04206 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9878910 | 0.86 | NPC1 (0.44) | NPC1RAB9ALRRK2MCHR1RXRA | |
| Hydrochloric Acid SCHEMBL9878930 | 0.85 | SLC2A1 (0.48) | NPC1RAB9ALRRK2MCHR1RXRA | |
| SCHEMBL9879455 | 0.83 | KMT2A (0.50) | NPC1RAB9ALRRK2MCHR1RXRA | |
| SCHEMBL9878282 | 0.82 | NPC1 (0.48) | NPC1RAB9ALRRK2MCHR1RXRA | |
| SCHEMBL9323164 | 0.81 | MAPT (0.51) | NPC1RAB9ALRRK2LMNANFKB1 | |
| SCHEMBL2407403 | 0.80 | MCHR1 (0.43) | NPC1RAB9AMCHR1 | |
| SCHEMBL9878202 | 0.79 | ALDH1A1 (0.54) | NPC1RAB9ALRRK2RXRARXRB | |
| Hydrochloric Acid SCHEMBL9878934 | 0.79 | MCHR1 (0.43) | NPC1RAB9AMCHR1SMN1; SMN2LMNA | |
| SCHEMBL9878907 | 0.77 | NPC1 (0.57) | NPC1RAB9ALRRK2MCHR1RXRA | |
| SCHEMBL2408632 | 0.74 | NUDT1 (0.52) | NPC1RAB9AMCHR1RXRARXRB |
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-1991018887-A1 | DIAMINOPYRIMIDINE COMPOUNDS | SMITHKLINE BEECHAM INTERCREDIT B.V. (NL) | 1991-12-12 | — | — | WO | disclosed |