Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 5/20 | 0.61 |
| ▸ | TSHR | P16473 | 3/20 | 0.61 |
| ▸ | LMNA | P02545 | 1/20 | 0.61 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CES2 | O00748 | 2/20 | 0.36 |
| ▸ | CES1 | P23141 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
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 SCHEMBL5573198 | 0.94 | ACHE (0.69) | ACHETSHRLMNAALOX12CYP1A2 | |
| O-Xylene SCHEMBL452170 | 0.88 | ACHE (0.79) | ACHETSHRLMNAALOX12CYP1A2 | |
| O-Xylene SCHEMBL11765114 | 0.88 | ACHE (0.79) | ACHETSHRLMNAALOX12CYP1A2 | |
| O-Xylene SCHEMBL11405236 | 0.88 | ACHE (0.79) | ACHETSHRLMNAALOX12CYP1A2 | |
| O-Xylene SCHEMBL11240856 | 0.88 | ACHE (0.79) | ACHETSHRLMNAALOX12CYP1A2 | |
| O-Xylene SCHEMBL10822510 | 0.88 | ACHE (0.79) | ACHETSHRLMNAALOX12CYP1A2 | |
| O-Xylene SCHEMBL1088985 | 0.88 | ACHE (0.79) | ACHETSHRLMNAALOX12CYP1A2 | |
| O-Xylene SCHEMBL8910096 | 0.88 | ACHE (0.79) | ACHETSHRLMNAALOX12CYP1A2 | |
| O-Xylene SCHEMBL11209551 | 0.88 | ACHE (0.79) | ACHETSHRLMNAALOX12CYP1A2 | |
| O-Xylene SCHEMBL9481519 | 0.88 | ACHE (0.79) | ACHETSHRLMNAALOX12CYP1A2 |
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-5556991-A | SUPPRESSION OF BY-PRODUCTS IN REACTION OF MALEIC ANHYDRIDE WITH PRIMARY AMINE | NIPPON SHOKUBAI CO., LTD. (JP) | 1996-09-17 | — | — | US | disclosed |