Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.61 |
| ▸ | KIF11 | P52732 | 1/20 | 0.46 |
| ▸ | ACP3 | P15309 | 1/20 | 0.42 |
| ▸ | BACE1 | P56817 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 2/20 | 0.40 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.40 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.40 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA5A | P35218 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Trifluoromethylbenzene SCHEMBL27950838 | 0.84 | TSHR (0.70) | TSHRALDH1A1KIF11ACP3BACE1 | |
| Trifluoromethylbenzene SCHEMBL28167239 | 0.83 | ALDH1A1 (0.61) | TSHRALDH1A1KIF11ACP3BACE1 | |
| Trifluoromethylbenzene SCHEMBL28242172 | 0.81 | TSHR (0.74) | TSHRALDH1A1KIF11ACP3BACE1 | |
| Trifluoromethylbenzene SCHEMBL27521972 | 0.79 | ALDH1A1 (0.70) | TSHRALDH1A1KIF11ACP3BACE1 | |
| Trifluoromethylbenzene SCHEMBL27669955 | 0.79 | ALDH1A1 (0.70) | TSHRALDH1A1KIF11ACP3BACE1 | |
| SCHEMBL7058923 | 0.78 | ALDH1A1 (0.48) | ALDH1A1MEN1MAPTHTTKMT2A | |
| Trifluoromethylbenzene SCHEMBL4867878 | 0.78 | TSHR (0.88) | TSHRALDH1A1KIF11ACP3BACE1 | |
| Trifluoromethylbenzene SCHEMBL8692 | 0.78 | TSHR (1.00) | TSHRALDH1A1KIF11ACP3BACE1 | |
| Trifluoromethylbenzene SCHEMBL27760126 | 0.78 | TSHR (1.00) | TSHRALDH1A1KIF11ACP3BACE1 | |
| Trifluoromethylbenzene SCHEMBL175647 | 0.78 | TSHR (1.00) | TSHRALDH1A1KIF11ACP3BACE1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2013049164-A1 | SUBSTITUTED OCTAHYDROPYRROLO[1,2-a]PYRAZINES AS CALCIUM CHANNEL BLOCKERS | ABBVIE INC. (US) | 2013-04-04 | — | — | WO | disclosed |
| EP-1311475-A1 | NOVEL AMINOCYCLOHEXANE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2003-05-21 | — | — | EP | disclosed |
| WO-2002014267-A1 | NOVEL AMINOCYCLOHEXANE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2002-02-21 | — | — | WO | disclosed |