Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.78 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.78 |
| ▸ | KIF11 | P52732 | 2/20 | 0.56 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.52 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 4/20 | 0.45 |
| ▸ | NPC1 | O15118 | 3/20 | 0.45 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.44 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 5/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | IDH2 | P48735 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 4/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 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 | |
|---|---|---|---|---|
| Trifluoromethylbenzene SCHEMBL21879063 | 0.88 | TSHR (0.88) | TSHRALDH1A1KIF11KCNN4TRPV6 | |
| Trifluoromethylbenzene SCHEMBL4867878 | 0.88 | TSHR (0.88) | TSHRALDH1A1KIF11KCNN4TRPV6 | |
| Trifluoromethylbenzene SCHEMBL27760126 | 0.88 | TSHR (1.00) | TSHRALDH1A1KIF11KCNN4TRPV6 | |
| Trifluoromethylbenzene SCHEMBL8692 | 0.88 | TSHR (1.00) | TSHRALDH1A1KIF11KCNN4TRPV6 | |
| Trifluoromethylbenzene SCHEMBL175647 | 0.88 | TSHR (1.00) | TSHRALDH1A1KIF11KCNN4TRPV6 | |
| Trifluoromethylbenzene SCHEMBL5311703 | 0.86 | ALDH1A1 (0.82) | TSHRALDH1A1KIF11TRPV6RAB9A | |
| Trifluoromethylbenzene SCHEMBL11580827 | 0.86 | TSHR (0.82) | TSHRALDH1A1KIF11KCNN4TRPV6 | |
| Trifluoromethylbenzene SCHEMBL18787459 | 0.86 | TSHR (0.82) | TSHRALDH1A1KIF11KCNN4TRPV6 | |
| Trifluoromethylbenzene SCHEMBL9482280 | 0.85 | TSHR (0.93) | TSHRALDH1A1KIF11KCNN4TRPV6 | |
| Trifluoromethylbenzene SCHEMBL22806921 | 0.85 | TSHR (0.93) | TSHRALDH1A1KIF11KCNN4TRPV6 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011058576-A1 | PROCESS FOR PREPARING POLYHALOGENATED PERHALOALKYLANILINE | GHARDA KEKI HORMUSJI (IN) | 2011-05-19 | — | — | WO | disclosed |
| WO-2011058577-A1 | PROCESS FOR SYNTHESIZING POLYHALOGENATED PERHALOALKYLANILINE COMPOUNDS | GHARDA KEKI HORMUSJI (IN) | 2011-05-19 | — | — | WO | disclosed |
| EP-0491326-A2 | Process for the functionalization of trifluoromethylbenzenes | ISTITUTO GUIDO DONEGANI S.p.A. (IT) | 1992-06-24 | — | — | EP | disclosed |
| US-4096185-A | P-CHLOROBENZOTRIFLUORIDE, AMMONIA, COPPER COMPOUND CATALYST | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1978-06-20 | — | — | US | disclosed |
| US-4006127-A | Cationic diazacyanine dyestuffs | BAYER AKTIENGESELLSCHAFT (DT) | 1977-02-01 | — | — | US | disclosed |