Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.43 |
| ▸ | ESR1 | P03372 | 1/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.43 |
| ▸ | LTA4H | P09960 | 1/20 | 0.42 |
| ▸ | NQO1 | P15559 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | TYMP | P19971 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8101895 | 0.87 | TAAR1 (0.43) | TAAR1ESR1ESR2LTA4HSLC6A4 | |
| SCHEMBL23424814 | 0.84 | SLC6A2 (0.49) | TAAR1ESR1ESR2NQO1SLC6A4 | |
| SCHEMBL30702301 | 0.84 | SLC6A4 (0.39) | TSHRACHETAAR1ESR1ESR2 | |
| SCHEMBL29155357 | 0.84 | SLC6A4 (0.39) | TSHRACHETAAR1ESR1ESR2 | |
| SCHEMBL8095627 | 0.84 | LTA4H (0.53) | TSHRACHETAAR1LTA4HSLC6A4 | |
| SCHEMBL8087746 | 0.83 | BCL2 (0.45) | TSHRLTA4HHTR2ALMNACYP3A4 | |
| SCHEMBL9177068 | 0.83 | ESR1 (0.41) | TSHRACHEESR1ESR2NQO1 | |
| SCHEMBL14407079 | 0.82 | LTA4H (0.40) | TAAR1ESR1ESR2LTA4HSLC6A4 | |
| SCHEMBL21970560 | 0.82 | SKP2 (0.50) | TSHRTAAR1ESR1ESR2LTA4H | |
| SCHEMBL311076 | 0.81 | ESR1 (0.61) | ESR1ESR2NQO1LMNAHTT |
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 |
|---|---|---|---|---|---|---|---|
| US-4117019-A | MANUFACTURE OF O-BENZYLTOLUENES | BASF AKTIENGESELLSCHAFT (DE) | 1978-09-26 | — | — | US | disclosed |
| US-3978144-A | MANUFACTURE OF O-BENZYLTOLUENES | BASF AKTIENGESELLSCHAFT (DT) | 1976-08-31 | — | — | US | disclosed |