Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 8/20 | 0.50 |
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.50 |
| ▸ | RNASEL | Q05823 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.46 |
| ▸ | KDR | P35968 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.44 |
| ▸ | DRD3 | P35462 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL10521619 | 0.95 | ESR1 (0.48) | ESR1TSHRLMNACYP1A2CYP2C19 | |
| SCHEMBL6653317 | 0.88 | ESR1 (0.50) | ESR1TSHRLMNACYP1A2CYP2C19 | |
| SCHEMBL9441336 | 0.86 | ESR1 (0.67) | ESR1TSHRLMNACYP1A2CYP2C19 | |
| SCHEMBL9700051 | 0.84 | MAPT (0.60) | ESR1TSHRLMNACYP1A2CYP2C19 | |
| SCHEMBL6940148 | 0.84 | MAPT (0.60) | ESR1TSHRLMNACYP1A2CYP2C19 | |
| SCHEMBL6654130 | 0.84 | ESR1 (0.71) | ESR1TSHRLMNACYP1A2CYP2C19 | |
| SCHEMBL10526051 | 0.84 | EGFR (0.53) | ESR1TSHRLMNACYP1A2CYP2C19 | |
| SCHEMBL10521282 | 0.83 | ESR1 (0.50) | ESR1TSHRLMNACYP1A2CYP2C19 | |
| SCHEMBL6648699 | 0.82 | ESR1 (0.65) | ESR1TSHRLMNACYP1A2CYP2C19 | |
| SCHEMBL6654946 | 0.82 | PKM (0.54) | ESR1TSHRLMNACYP1A2CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0962445-B1 | Acetylene compound, liquid crystal composition and liquid crystal element | MITSUI CHEMICALS INC (JP) | 2003-02-26 | — | — | EP | disclosed |
| US-6217793-B1 | Acetylene compound, liquid crystal composition and liquid crystal element | MITSUI CHEMICALS, INC. (JP) | 2001-04-17 | — | — | US | disclosed |
| EP-0962445-A1 | Acetylene compound, liquid crystal composition and liquid crystal element | Mitsui Chemicals, Inc. (JP) | 1999-12-08 | — | — | EP | disclosed |