Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.50 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | BACE1 | P56817 | 2/20 | 0.46 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.46 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.46 |
| ▸ | IGF1R | P08069 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.43 |
| ▸ | IDO1 | P14902 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA4 | P22748 | 1/20 | 0.42 |
| ▸ | CA6 | P23280 | 1/20 | 0.42 |
| ▸ | CA5A | P35218 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL20413 | 0.93 | CA2 (0.59) | CA2CYP1A2CYP2A6TAAR1TDP1 | |
| SCHEMBL2307510 | 0.88 | CYP4F2 (0.42) | CA2CYP1A2CYP2A6TAAR1TDP1 | |
| SCHEMBL12679109 | 0.88 | CYP4F2 (0.42) | CA2CYP1A2CYP2A6TAAR1TDP1 | |
| SCHEMBL18621847 | 0.88 | FFAR1 (0.48) | CA2TAAR1TDP1BACE1KCNH2 | |
| SCHEMBL12679111 | 0.88 | CYP4F2 (0.42) | CA2CYP1A2CYP2A6TAAR1TDP1 | |
| Alcohol SCHEMBL5331218 | 0.88 | CA2 (0.54) | CA2CYP1A2CYP2A6TAAR1TDP1 | |
| SCHEMBL2044945 | 0.87 | CA2 (0.65) | CA2TDP1BACE1CYP4F2CYP4A11 | |
| Formaldehyde SCHEMBL17697788 | 0.86 | CA2 (0.52) | CA2CYP1A2CYP2A6TAAR1TDP1 | |
| SCHEMBL19263826 | 0.85 | CYP1A2 (0.59) | CYP1A2CYP2A6TAAR1TDP1BACE1 | |
| Toluene SCHEMBL9787341 | 0.84 | TDP1 (0.65) | CA2CYP1A2CYP2A6TAAR1TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| US-9234136-B2 | Liquid-crystalline medium | MERCK PATENT GMBH (DE) | 2016-01-12 | — | — | US | disclosed |
| US-20140138581-A1 | LIQUID-CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2014-05-22 | — | — | US | disclosed |