Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | HPGD | P15428 | 3/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.49 |
| ▸ | MYC | P01106 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | FOLH1 | Q04609 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 3/20 | 0.45 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.44 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.44 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.44 |
| ▸ | DHFR | P00374 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL31090800 | 0.88 | FOLH1 (0.50) | CYP2C9ALDH1A1HPGDKDM4EHSD17B10 | |
| SCHEMBL29367715 | 0.88 | FOLH1 (0.50) | CYP2C9ALDH1A1HPGDKDM4EHSD17B10 | |
| SCHEMBL23708 | 0.88 | FOLH1 (0.50) | CYP2C9ALDH1A1HPGDKDM4EHSD17B10 | |
| SCHEMBL28205348 | 0.86 | TSHR (0.61) | HTTCYP2C9CYP3A4KMT2AALDH1A1 | |
| SCHEMBL10483666 | 0.86 | TSHR (0.56) | HTTCYP2C9ALDH1A1HPGDKDM4E | |
| SCHEMBL5553275 | 0.86 | FOLH1 (0.49) | CYP2C9ALDH1A1HSD17B10TSHRFOLH1 | |
| SCHEMBL200212 | 0.84 | TSHR (0.59) | ALDH1A1TSHRFOLH1AKR1C3ALOX15 | |
| SCHEMBL1396288 | 0.83 | HPGD (0.62) | HTTCYP2C9CYP3A4KMT2AALDH1A1 | |
| SCHEMBL343520 | 0.83 | TSHR (0.57) | ALDH1A1TSHRFOLH1AKR1C3ALOX15 | |
| SCHEMBL7198472 | 0.83 | HTT (0.46) | HTTCYP2C9CYP3A4KMT2AALDH1A1 |
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 |