Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.58 |
| ▸ | CA2 | P00918 | 2/20 | 0.58 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.55 |
| ▸ | NPC1 | O15118 | 5/20 | 0.54 |
| ▸ | RAB9A | P51151 | 4/20 | 0.54 |
| ▸ | ACHE | P22303 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 3/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | CES2 | O00748 | 1/20 | 0.52 |
| ▸ | CES1 | P23141 | 1/20 | 0.52 |
| ▸ | MAOA | P21397 | 1/20 | 0.51 |
| ▸ | MAOB | P27338 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.50 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL1688854 | 0.89 | TDP1 (0.61) | CA1CA2ESR2TDP1NPC1 | |
| SCHEMBL16704815 | 0.85 | MAPT (0.60) | CA1CA2ESR2TDP1NPC1 | |
| SCHEMBL20443618 | 0.85 | ESR2 (0.77) | ESR2NPC1RAB9AMAPTSMN1; SMN2 | |
| SCHEMBL27881866 | 0.85 | MAPT (0.60) | CA1CA2ESR2TDP1NPC1 | |
| SCHEMBL395527 | 0.84 | CA1 (0.56) | CA1CA2ESR2NPC1RAB9A | |
| SCHEMBL14499884 | 0.83 | NPC1 (0.61) | CA1CA2TDP1NPC1RAB9A | |
| SCHEMBL513612 | 0.83 | TDP1 (0.61) | CA1CA2ESR2TDP1NPC1 | |
| SCHEMBL19795544 | 0.83 | CA1 (0.64) | CA1CA2TDP1NPC1RAB9A | |
| 4-Methoxybenzoic Acid Ethyl Ester SCHEMBL203475 | 0.83 | CA1 (0.66) | CA1CA2ESR2TDP1NPC1 | |
| SCHEMBL17896517 | 0.83 | TDP1 (0.55) | CA1CA2ESR2TDP1NPC1 |
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-20180127543-A1 | ORGANIC FLUORINE COMPOUND AND LUBRICANT | SHOWA DENKO K.K. (JP) | 2018-05-10 | — | — | US | disclosed |