Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 4/20 | 0.73 |
| ▸ | TSHR | P16473 | 2/20 | 0.73 |
| ▸ | LMNA | P02545 | 2/20 | 0.73 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.73 |
| ▸ | CES2 | O00748 | 1/20 | 0.46 |
| ▸ | CES1 | P23141 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Toluene SCHEMBL4415822 | 1.00 | ACHE (0.73) | ACHETSHRLMNAALOX12CES2 | |
| Toluene SCHEMBL10606497 | 0.93 | ACHE (0.73) | ACHETSHRLMNAALOX12CES2 | |
| Toluene SCHEMBL6889473 | 0.93 | ACHE (0.73) | ACHETSHRLMNAALOX12CES2 | |
| Toluene SCHEMBL11327531 | 0.93 | ACHE (0.73) | ACHETSHRLMNAALOX12CES2 | |
| Toluene SCHEMBL10346299 | 0.93 | ACHE (0.73) | ACHETSHRLMNAALOX12CES2 | |
| Toluene SCHEMBL3219455 | 0.89 | ACHE (0.92) | ACHETSHRLMNAALOX12CES2 | |
| Toluene SCHEMBL10859162 | 0.89 | — | — | |
| Toluene SCHEMBL7662176 | 0.86 | — | — | |
| SCHEMBL12344964 | 0.86 | ACHE (1.00) | ACHETSHRLMNAALOX12CES2 | |
| Toluene SCHEMBL1 | 0.86 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4436838-A | CATALYST SYSTEM INCLUDING COMPOUNDS OF RUTHENIUM AND ANOTHER METAL AND A PHOSPHONIUM COMPOUND | TEXACO INC. (US) | 1984-03-13 | — | — | US | disclosed |