Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.50 |
| ▸ | RAB9A | P51151 | 4/20 | 0.50 |
| ▸ | KDR | P35968 | 3/20 | 0.50 |
| ▸ | FLT1 | P17948 | 2/20 | 0.50 |
| ▸ | SMO | Q99835 | 1/20 | 0.47 |
| ▸ | FPR2 | P25090 | 1/20 | 0.47 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.46 |
| ▸ | FADS1 | O60427 | 1/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.46 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.45 |
| ▸ | CASP3 | P42574 | 1/20 | 0.45 |
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 SCHEMBL8720167 | 0.82 | BCAT2 (0.57) | NPC1RAB9ASMOKMT2AMEN1 | |
| SCHEMBL8575106 | 0.81 | NPC1 (0.50) | NPC1RAB9AKDRFLT1SMO | |
| SCHEMBL8577947 | 0.77 | P2RX1 (0.60) | PTGS1MAPTNFKB1NFKB2RELA | |
| SCHEMBL4254011 | 0.75 | RAB9A (0.68) | NPC1RAB9ASMOGRM4KMT2A | |
| SCHEMBL9081796 | 0.74 | GAA (0.45) | KDM4EALDH1A1 | |
| SCHEMBL1963713 | 0.74 | FADS1 (0.76) | NPC1RAB9AGRM4KMT2AMEN1 | |
| Hydrochloric Acid SCHEMBL8720439 | 0.73 | GAA (0.44) | KDM4EALDH1A1CA2 | |
| SCHEMBL10489740 | 0.73 | NPC1 (0.69) | NPC1RAB9AGRM4KMT2AMEN1 | |
| SCHEMBL28093056 | 0.73 | PTGS1 (0.72) | NPC1RAB9AGRM4KMT2AMEN1 | |
| Hydrochloric Acid SCHEMBL8717918 | 0.72 | HTT (0.52) | NPC1RAB9AKMT2AMEN1SMN1; 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-1998017636-A1 | PHENYLALANINOL DERIVATIVES FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS | ORTHO PHARMACEUTICAL CORPORATION (US) | 1998-04-30 | — | — | WO | disclosed |