Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CAPN1 | P07384 | 5/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | ALPI | P09923 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | XIAP | P98170 | 1/20 | 0.42 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | ALPL | P05186 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | ALPG | P10696 | 1/20 | 0.41 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.41 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28899373 | 0.81 | POLB (0.49) | CYP1A2ALDH1A1KMT2AGAATDP1 | |
| SCHEMBL26999351 | 0.81 | POLB (0.44) | CYP1A2KMT2AALPIPKMPTGS1 | |
| SCHEMBL19182525 | 0.81 | POLB (0.49) | CYP1A2ALDH1A1KMT2AGAATDP1 | |
| SCHEMBL26999380 | 0.79 | EPHX1 (0.43) | CYP1A2KMT2AALPIPKMPTGS1 | |
| SCHEMBL28205347 | 0.77 | ALDH1A1 (0.49) | CYP1A2ALDH1A1KMT2AGAATDP1 | |
| SCHEMBL8894583 | 0.77 | ALPI (0.52) | CYP1A2ALDH1A1KMT2AGAATDP1 | |
| SCHEMBL7204826 | 0.77 | NPC1 (0.51) | CYP1A2ALDH1A1KMT2AGAATDP1 | |
| SCHEMBL27513517 | 0.77 | CNR2 (0.44) | CYP1A2KMT2ATDP1ALPIPKM | |
| SCHEMBL1482003 | 0.77 | CNR2 (0.44) | CYP1A2KMT2ATDP1ALPIPKM | |
| SCHEMBL4623911 | 0.76 | AKR1C3 (0.42) | CAPN1CYP1A2ALDH1A1KMT2AALOX15 |
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 |