Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 4/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | MYC | P01106 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | GPR52 | Q9Y2T5 | 2/20 | 0.49 |
| ▸ | RECQL | P46063 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 3/20 | 0.46 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.45 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.45 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.45 |
| ▸ | DHFR | P00374 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL27331130 | 0.87 | ALDH1A1 (0.52) | HPGDALDH1A1KDM4ESMN1; SMN2KMT2A | |
| SCHEMBL3271724 | 0.84 | ALDH1A1 (0.52) | HPGDALDH1A1KDM4EHSD17B10MYC | |
| SCHEMBL17020099 | 0.82 | CXCR5 (0.53) | HPGDALDH1A1KDM4EHSD17B10MYC | |
| SCHEMBL1166297 | 0.81 | FFAR1 (0.52) | ALDH1A1SMN1; SMN2KMT2ATDP1ALOX15 | |
| SCHEMBL2723993 | 0.81 | KCNH2 (0.48) | HPGDALDH1A1HSD17B10SMN1; SMN2GPR52 | |
| SCHEMBL6859420 | 0.81 | KDM4E (0.52) | HPGDALDH1A1KDM4EHSD17B10MYC | |
| SCHEMBL26679418 | 0.79 | HSD17B10 (0.50) | HPGDALDH1A1KDM4EHSD17B10MYC | |
| SCHEMBL9045316 | 0.79 | HPGD (0.50) | HPGDALDH1A1KDM4EHSD17B10MYC | |
| Phthalic Acid SCHEMBL4430760 | 0.79 | ALDH1A1 (0.70) | HPGDALDH1A1KDM4ESMN1; SMN2KMT2A | |
| SCHEMBL3309397 | 0.79 | ALDH1A1 (0.47) | ALDH1A1SMN1; SMN2KMT2AALOX15HTT |
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 |