Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 7/20 | 0.38 |
| ▸ | RAB9A | P51151 | 7/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.38 |
| ▸ | MEN1 | O00255 | 4/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.37 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | KEAP1 | Q14145 | 3/20 | 0.34 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.34 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL8710674 | 0.77 | GRM2 (0.45) | NPC1RAB9ASMN1; SMN2MAPK1KMT2A | |
| SCHEMBL8710075 | 0.73 | NPC1 (0.44) | NPC1RAB9ASMN1; SMN2MAPTKMT2A | |
| SCHEMBL8710142 | 0.72 | SLC9A1 (0.45) | RAB9ASMN1; SMN2LMNATP53MAPT | |
| Hydrochloric Acid SCHEMBL8710124 | 0.72 | NPC1 (0.44) | NPC1RAB9AMAPTKMT2AMEN1 | |
| SCHEMBL19018311 | 0.72 | SLC9A1 (0.46) | NPC1RAB9ASMN1; SMN2LMNATP53 | |
| SCHEMBL19242816 | 0.69 | GRM2 (0.44) | LMNAMAPTKDM4EGRM2ALDH1A1 | |
| Bromide SCHEMBL8710837 | 0.69 | GRM2 (0.46) | NPC1RAB9ASMN1; SMN2MAPTKMT2A | |
| SCHEMBL19911638 | 0.68 | GRM2 (0.50) | NPC1RAB9ASMN1; SMN2LMNATP53 | |
| SCHEMBL11033287 | 0.66 | MEN1 (0.47) | NPC1RAB9ASMN1; SMN2LMNATP53 | |
| SCHEMBL13586023 | 0.66 | GRM2 (0.46) | GRM2KEAP1SLC9A1 |
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-5746840-A | Process for preparing enantiomerically pure 6-{4-chlorophenyl) (1 H-1,2,4-triazol-1-YL) methyl}-1-methyl-1 H-benzotriazole | JANSSEN PHARMACEUTICA, N.V. (BE) | 1998-05-05 | — | — | US | disclosed |