Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 3/20 | 0.61 |
| ▸ | TSHR | P16473 | 2/20 | 0.61 |
| ▸ | LMNA | P02545 | 1/20 | 0.61 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.61 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.46 |
| ▸ | RAPGEF4 | Q8WZA2 | 5/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | PSMB5 | P28074 | 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 SCHEMBL28003215 | 0.83 | ACHE (0.61) | ACHETSHRLMNAALOX12CYP1A2 | |
| Phenol SCHEMBL28794537 | 0.82 | TDP1 (0.52) | ACHETSHRLMNAALOX12FFAR4 | |
| Toluene SCHEMBL4117566 | 0.82 | ACHE (0.79) | ACHETSHRLMNAALOX12CYP1A2 | |
| Toluene SCHEMBL10862849 | 0.82 | — | — | |
| SCHEMBL28951 | 0.82 | RAPGEF4 (0.59) | ACHETSHRLMNACYP1A2CYP2A6 | |
| SCHEMBL1551822 | 0.82 | RAPGEF4 (0.59) | ACHETSHRLMNACYP1A2CYP2A6 | |
| Toluene SCHEMBL27258338 | 0.80 | ACHE (0.65) | ACHETSHRLMNAALOX12CYP1A2 | |
| Toluene SCHEMBL337110 | 0.80 | ACHE (0.65) | ACHETSHRLMNAALOX12CYP1A2 | |
| O-Xylene SCHEMBL822495 | 0.80 | ACHE (0.65) | ACHETSHRLMNAALOX12FFAR4 | |
| SCHEMBL28482658 | 0.78 | RAPGEF4 (0.56) | ACHETSHRLMNACYP1A2CYP2A6 |
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-4992606-A | Catalytic alkylation of aroxatic compounds with alkylating agent | MOBIL OIL CORP. (US) | 1991-02-12 | — | — | US | claimed |