Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.67 |
| ▸ | TSHR | P16473 | 1/20 | 0.67 |
| ▸ | KIF11 | P52732 | 4/20 | 0.56 |
| ▸ | BACE1 | P56817 | 1/20 | 0.47 |
| ▸ | TRPV6 | Q9H1D0 | 2/20 | 0.47 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.44 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.44 |
| ▸ | ESR1 | P03372 | 2/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | ACP3 | P15309 | 1/20 | 0.40 |
| ▸ | TACR1 | P25103 | 1/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.38 |
| ▸ | ORAI2 | Q96SN7 | 1/20 | 0.38 |
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 SCHEMBL18787459 | 0.85 | TSHR (0.82) | ALDH1A1TSHRKIF11BACE1TRPV6 | |
| SCHEMBL134822 | 0.84 | MAPK1 (0.52) | ALDH1A1TSHRESR1ESR2CYP3A4 | |
| SCHEMBL17935746 | 0.83 | ALDH1A1 (0.70) | ALDH1A1TSHRKIF11BACE1TRPV6 | |
| Trifluoromethylbenzene SCHEMBL21879063 | 0.82 | TSHR (0.88) | ALDH1A1TSHRKIF11BACE1TRPV6 | |
| Trifluoromethylbenzene SCHEMBL4867878 | 0.82 | TSHR (0.88) | ALDH1A1TSHRKIF11BACE1TRPV6 | |
| Trifluoromethylbenzene SCHEMBL175647 | 0.82 | TSHR (1.00) | ALDH1A1TSHRKIF11BACE1TRPV6 | |
| Trifluoromethylbenzene SCHEMBL8692 | 0.82 | TSHR (1.00) | ALDH1A1TSHRKIF11BACE1TRPV6 | |
| Trifluoromethylbenzene SCHEMBL27760126 | 0.82 | TSHR (1.00) | ALDH1A1TSHRKIF11BACE1TRPV6 | |
| Trifluoromethylbenzene SCHEMBL11580827 | 0.79 | TSHR (0.82) | ALDH1A1TSHRKIF11BACE1TRPV6 | |
| Trifluoromethylbenzene SCHEMBL5311703 | 0.79 | ALDH1A1 (0.82) | ALDH1A1TSHRKIF11BACE1TRPV6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0929534-A1 | TRYCYCLIC COMPOUNDS AS PROSTAGLANDIN I2 RECEPTOR AGONISTS | Takeda Pharmaceutical Company Limited (JP) | 1999-07-21 | — | — | EP | disclosed |
| WO-1998013356-A1 | TRYCYCLIC COMPOUNDS AS PROSTAGLANDIN I2 RECEPTOR AGONISTS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1998-04-02 | — | — | WO | disclosed |