Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH1 | O75874 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | NQO1 | P15559 | 1/20 | 0.39 |
| ▸ | LDHA | P00338 | 2/20 | 0.38 |
| ▸ | LDHB | P07195 | 2/20 | 0.38 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | BCL2 | P10415 | 1/20 | 0.37 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | ERAP1 | Q9NZ08 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11247248 | 0.87 | BCL2 (0.42) | IDH1TP53LDHALDHBCALM1 | |
| SCHEMBL28009449 | 0.79 | BCL2 (0.45) | IDH1NQO1LDHALDHBCALM1 | |
| SCHEMBL27512807 | 0.79 | TP53 (0.48) | IDH1TP53CALM1BCL2BCL2L1 | |
| SCHEMBL11247242 | 0.79 | TP53 (0.40) | IDH1TP53NQO1LDHALDHB | |
| SCHEMBL8097110 | 0.78 | NOS3 (0.40) | ALDH1A1NPSR1 | |
| SCHEMBL28865989 | 0.75 | TP53 (0.48) | TP53CALM1BCL2BCL2L1 | |
| SCHEMBL28002608 | 0.74 | IDH1 (0.47) | IDH1TP53LDHALDHBCALM1 | |
| SCHEMBL9804432 | 0.74 | BCL2 (0.48) | IDH1TP53NQO1CALM1MEN1 | |
| SCHEMBL9182911 | 0.74 | TP53 (0.39) | IDH1TP53CALM1MEN1KMT2A | |
| SCHEMBL8100218 | 0.72 | CALM1 (0.55) | IDH1TP53NQO1CALM1BCL2 |
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-4327040-A | BASIC CATALYZED REACTION OF PROPARGYL ALCOHOL WITH A PHOSPHORIC ACID CHLORIDE | BAYER AKTIENGESELLSCHAFT (DE) | 1982-04-27 | — | — | US | disclosed |