Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
| ▸ | SLC2A1 | P11166 | 2/20 | 0.45 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.41 |
| ▸ | RELA | Q04206 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9878250 | 0.83 | SLC2A1 (0.51) | NPC1RAB9ASLC2A1LRRK2SMN1; SMN2 | |
| SCHEMBL9879432 | 0.81 | NPC1 (0.46) | NPC1RAB9ASLC2A1LRRK2SMN1; SMN2 | |
| SCHEMBL9879075 | 0.80 | ALDH1A1 (0.44) | NPC1RAB9ASLC2A1LRRK2SMN1; SMN2 | |
| SCHEMBL9878489 | 0.79 | NPC1 (0.49) | NPC1RAB9ASLC2A1LRRK2SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL9878254 | 0.76 | — | — | |
| SCHEMBL9879455 | 0.75 | KMT2A (0.50) | NPC1RAB9ASLC2A1LRRK2SMN1; SMN2 | |
| SCHEMBL13750837 | 0.73 | HTT (0.59) | NPC1RAB9ASLC2A1LRRK2SMN1; SMN2 | |
| SCHEMBL18500775 | 0.72 | SLC2A1 (0.54) | NPC1RAB9ASLC2A1SMN1; SMN2LMNA | |
| SCHEMBL9879871 | 0.72 | SLC2A1 (0.45) | NPC1RAB9ASLC2A1LRRK2SMN1; SMN2 | |
| SCHEMBL10939229 | 0.72 | TSHR (0.67) | NPC1RAB9ASLC2A1LRRK2SMN1; SMN2 |
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 |