Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.51 |
| ▸ | GSR | P00390 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | KDR | P35968 | 3/20 | 0.44 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | CDK1 | P06493 | 1/20 | 0.42 |
| ▸ | CDK2 | P24941 | 1/20 | 0.42 |
| ▸ | HRH1 | P35367 | 1/20 | 0.41 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.41 |
| ▸ | HTR7 | P34969 | 2/20 | 0.40 |
| ▸ | HTR1D | P28221 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | HTR1E | P28566 | 1/20 | 0.40 |
| ▸ | HTR2B | P41595 | 1/20 | 0.40 |
| ▸ | HTR6 | P50406 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL11861088 | 0.88 | KDR (0.56) | NPC1GSRRAB9AKDRCHEK1 | |
| SCHEMBL11861276 | 0.87 | KDR (0.60) | GSRKDRCHEK1MAPTHPGD | |
| SCHEMBL6969848 | 0.86 | NPC1 (0.48) | NPC1GSRRAB9AKDRCHEK1 | |
| SCHEMBL6962802 | 0.85 | CDK4 (0.51) | NPC1GSRRAB9AKDRMAPT | |
| SCHEMBL11863593 | 0.85 | NPC1 (0.48) | NPC1GSRRAB9AKDRCHEK1 | |
| SCHEMBL6963849 | 0.85 | NPC1 (0.50) | NPC1GSRRAB9AKDRCHEK1 | |
| SCHEMBL8063320 | 0.84 | NPC1 (0.65) | NPC1GSRRAB9AKDRCHEK1 | |
| Methane SCHEMBL8064257 | 0.83 | NPC1 (0.64) | NPC1GSRRAB9AKDRCHEK1 | |
| SCHEMBL11865968 | 0.82 | NPC1 (0.53) | NPC1GSRRAB9AKDRCHEK1 | |
| SCHEMBL6993159 | 0.80 | NPC1 (0.52) | NPC1GSRRAB9ACHEK1MAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-3959308-A | Substituted naphtho pyrazoles | SANDOZ, INC. (US) | 1976-05-25 | — | — | US | disclosed |
| US-3932430-A | Substituted indeno, naphtho and cyclohepta pyrazoles | SANDOZ, INC. (US) | 1976-01-13 | — | — | US | disclosed |