Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP2K4 | P45985 | 2/20 | 0.46 |
| ▸ | CHEK1 | O14757 | 10/20 | 0.44 |
| ▸ | EIF2AK1 | Q9BQI3 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA4 | P22748 | 1/20 | 0.42 |
| ▸ | CA6 | P23280 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.38 |
| ▸ | KDR | P35968 | 1/20 | 0.37 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL11862001 | 0.90 | CHEK1 (0.53) | MAP2K4CHEK1EIF2AK1CA1CA2 | |
| SCHEMBL11865780 | 0.81 | CHEK1 (0.53) | CHEK1CA1CA2CA4CA6 | |
| SCHEMBL11864287 | 0.78 | CHEK1 (0.65) | CHEK1EIF2AK1PDGFRB | |
| SCHEMBL11862375 | 0.77 | CHEK1 (0.49) | CHEK1KDRPDGFRB | |
| SCHEMBL11865843 | 0.76 | KDR (0.60) | CHEK1KDRPDGFRB | |
| SCHEMBL11842046 | 0.75 | NPC1 (0.44) | MAP2K4CHEK1EIF2AK1CA1CA2 | |
| SCHEMBL11863997 | 0.75 | HIF1A (0.57) | MAP2K4CHEK1HIF1AKDRMEN1 | |
| SCHEMBL11862289 | 0.74 | CHEK1 (0.46) | MAP2K4CHEK1 | |
| SCHEMBL11865766 | 0.73 | CHEK1 (0.68) | CHEK1KDRPDGFRB | |
| SCHEMBL4044046 | 0.72 | PDGFRB (0.44) | MAP2K4EIF2AK1CA1CA2CA4 |
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-3932430-A | Substituted indeno, naphtho and cyclohepta pyrazoles | SANDOZ, INC. (US) | 1976-01-13 | — | — | US | disclosed |