Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | ALPL | P05186 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | ALPG | P10696 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.44 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | ALPI | P09923 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.43 |
| ▸ | XIAP | P98170 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL13272133 | 0.88 | NPC1 (0.50) | NPC1RAB9AALPLPOLBALPG | |
| Isobutylbenzene SCHEMBL28035953 | 0.87 | DHODH (0.45) | NPC1RAB9AALPLPOLBALPG | |
| SCHEMBL18038405 | 0.87 | NPC1 (0.46) | NPC1RAB9AALPLPOLBALPG | |
| SCHEMBL18950247 | 0.85 | NOTUM (0.42) | NPC1RAB9AALDH1A1KMT2AGAA | |
| SCHEMBL3627608 | 0.84 | FOLH1 (0.48) | NPC1RAB9AALDH1A1ALOX15KMT2A | |
| SCHEMBL1904536 | 0.81 | TSHR (0.57) | POLBALDH1A1ALOX15KMT2AGAA | |
| SCHEMBL21961149 | 0.81 | TSHR (0.57) | POLBALDH1A1ALOX15KMT2AGAA | |
| SCHEMBL20555850 | 0.81 | ACE2 (0.50) | POLBALDH1A1ALOX15KMT2AGAA | |
| SCHEMBL5230221 | 0.81 | ACE2 (0.50) | POLBALDH1A1ALOX15KMT2AGAA | |
| SCHEMBL28035522 | 0.79 | POLB (0.43) | NPC1RAB9APOLBCYP1A2KMT2A |
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 |