Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.40 |
| ▸ | CTSS | P25774 | 2/20 | 0.37 |
| ▸ | CTSK | P43235 | 2/20 | 0.37 |
| ▸ | NR1H2 | P55055 | 6/20 | 0.37 |
| ▸ | NR1H3 | Q13133 | 5/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.36 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.35 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.35 |
| ▸ | RXRA | P19793 | 1/20 | 0.34 |
| ▸ | RXRB | P28702 | 1/20 | 0.34 |
| ▸ | RXRG | P48443 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3386188 | 0.80 | PIK3CG (0.36) | PIK3CD | |
| SCHEMBL4164856 | 0.76 | PDE10A (0.54) | ESR1NR1H2NR1H3S1PR1PIK3CD | |
| SCHEMBL3383001 | 0.75 | DHODH (0.45) | CTSKKCNH2RXRARXRBRXRG | |
| SCHEMBL3386976 | 0.75 | PIK3CD (0.46) | PIK3CDKDM4EALDH1A1HPGD | |
| SCHEMBL3387117 | 0.74 | ATM (0.39) | CYP2C9PIK3CDKDM4EALDH1A1LMNA | |
| SCHEMBL4174645 | 0.72 | NR1H2 (0.44) | ESR1CTSKNR1H2NR1H3S1PR1 | |
| SCHEMBL3654574 | 0.70 | PIK3CD (0.44) | PIK3CDKDM4EALDH1A1 | |
| SCHEMBL13005210 | 0.70 | AKT1 (0.39) | RXRARXRBRXRGKDM4EALDH1A1 | |
| SCHEMBL10102632 | 0.70 | DHFR (0.41) | — | |
| SCHEMBL4164854 | 0.70 | ESR1 (0.47) | ESR1NR1H2CYP2C9S1PR1TRPV1 |
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-1891011-B1 | TETRAHYDROQUINOLINES USED IN THE FORM OF MODULATORS OF MITOTIC MOTOR-PROTEINS EG5 | MERCK PATENT GMBH (DE) | 2010-12-08 | — | — | EP | disclosed |
| EP-1891011-A1 | TETRAHYDROQUINOLINES USED IN THE FORM OF MODULATORS OF MITOTIC MOTOR-PROTEINS EG5 | Merck Patent GmbH (DE) | 2008-02-27 | — | — | EP | disclosed |
| WO-2006133821-A1 | TETRAHYDROQUINOLINES USED IN THE FORM OF MODULATORS OF MITOTIC MOTOR-PROTEINS EG5 | MERCK PATENT GMBH (DE) | 2006-12-21 | — | — | WO | disclosed |