Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH1 | O75874 | 1/20 | 0.46 |
| ▸ | HNF4A | P41235 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | LDHA | P00338 | 3/20 | 0.43 |
| ▸ | LDHB | P07195 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.41 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.41 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.41 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.41 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL27383635 | 0.87 | ALDH1A1 (0.45) | IDH1HNF4AALDH1A1LDHALDHB | |
| SCHEMBL29921822 | 0.86 | HNF4A (0.51) | HNF4AALDH1A1LMNAKMT2AMEN1 | |
| SCHEMBL7204828 | 0.85 | IDH1 (0.47) | IDH1HNF4AALDH1A1LDHALDHB | |
| SCHEMBL17941538 | 0.83 | ALDH1A1 (0.49) | IDH1HNF4AALDH1A1LDHALDHB | |
| SCHEMBL1888529 | 0.81 | PTPN1 (0.49) | HNF4AALDH1A1LDHALDHBLMNA | |
| SCHEMBL27946071 | 0.81 | LDHA (0.48) | IDH1HNF4AALDH1A1LDHALDHB | |
| SCHEMBL29922019 | 0.80 | PTPN1 (0.53) | HNF4AALDH1A1LMNAKMT2AMEN1 | |
| SCHEMBL3271724 | 0.79 | ALDH1A1 (0.52) | IDH1HNF4AALDH1A1LMNAKMT2A | |
| SCHEMBL3000590 | 0.79 | GABRP (0.40) | ALDH1A1LDHALDHBKMT2ANOTUM | |
| SCHEMBL7036187 | 0.79 | ALDH1A1 (0.42) | IDH1HNF4AALDH1A1LMNAKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2003078377-A1 | OXIDATION OF O-XYLOL TO FORM O-TOLUIC AND OTHER OXIDATION PRODUCTS BY THE CONTROLLED SUPPLY OF AN OXYGEN-CONTAINING GAS | BASF AKTIENGESELLSCHAFT (DE) | 2003-09-25 | — | — | WO | disclosed |
| WO-2003078369-A1 | OXIDATION OF O-XYLOL TO FORM O-TOLUIC ACID AND OTHER OXIDATION PRODUCTS BY THE STAGGERED SUPPLY OF AN OXYGEN-CONTAINING GAS | BASF AKTIENGESELLSCHAFT (DE) | 2003-09-25 | — | — | WO | disclosed |