Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | F2R | P25116 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8855668 | 0.84 | ESR2 (0.37) | CYP3A4ESR2ALDH1A1MEN1KMT2A | |
| SCHEMBL18093405 | 0.83 | ESR2 (0.34) | ESR2 | |
| SCHEMBL13376132 | 0.82 | ADORA2A (0.34) | ESR2LMNATP53 | |
| SCHEMBL8986575 | 0.80 | MEN1 (0.40) | ESR2F2RALDH1A1MEN1GAA | |
| SCHEMBL29708 | 0.79 | NPC1 (0.49) | TSHRCYP3A4CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL29350736 | 0.79 | NPC1 (0.49) | TSHRCYP3A4CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL8034190 | 0.78 | GAA (0.41) | F2RALDH1A1MEN1GAAKMT2A | |
| SCHEMBL18593382 | 0.77 | TSHR (0.44) | TSHRCYP3A4CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL8986541 | 0.75 | ATM (0.38) | ESR2F2RCA2ALDH1A1ATM | |
| SCHEMBL11079994 | 0.74 | NPC1 (0.38) | TSHRCYP3A4CYP2C9CYP2C19CYP1A2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7705157-B2 | Phenol-heterocyclic ligands, metal complexes, and their uses as catalysts | SYMYX SOLUTIONS, INC. (US) | 2010-04-27 | — | — | US | disclosed |
| US-7705157-B2 | Phenol-heterocyclic ligands, metal complexes, and their uses as catalysts | SYMYX SOLUTIONS, INC. (US) | 2010-04-27 | — | — | US | disclosed |
| US-20100048841-A1 | PHENOL-HETEROCYCLIC LIGANDS, METAL COMPLEXES, AND THEIR USES AS CATALYSTS | SYMYX SOLUTIONS, INC. (US) | 2010-02-25 | — | — | US | disclosed |
| US-20100048841-A1 | PHENOL-HETEROCYCLIC LIGANDS, METAL COMPLEXES, AND THEIR USES AS CATALYSTS | SYMYX SOLUTIONS, INC. (US) | 2010-02-25 | — | — | US | disclosed |