Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX15 | P16050 | 2/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.47 |
| ▸ | MEN1 | O00255 | 4/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | ABCB11 | O95342 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.47 |
| ▸ | NR3C1 | P04150 | 2/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.47 |
| ▸ | TBXA2R | P21731 | 2/20 | 0.47 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL9047294 | 0.85 | ALOX15 (0.40) | ALOX15CYP2C9CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL7984491 | 0.82 | ABCC1 (0.48) | ALOX15MEN1KMT2AKDM4EMAPT | |
| SCHEMBL8086984 | 0.79 | PYGL (0.45) | ALOX15ALDH1A1LMNAPOLBADORA2B | |
| SCHEMBL7273889 | 0.79 | CYP2C9 (0.60) | ALOX15CYP2C9CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL7408943 | 0.79 | CYP2C9 (0.73) | ALOX15CYP2C9CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL29664498 | 0.79 | CYP2C9 (0.60) | ALOX15CYP2C9CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL7981102 | 0.75 | HSD17B10 (0.64) | ALOX15MEN1KMT2AKDM4EMAPT | |
| SCHEMBL7979577 | 0.74 | KDM4E (0.62) | ALOX15KDM4EHSD17B10TSHRNPSR1 | |
| SCHEMBL7410229 | 0.74 | CYP2C9 (0.66) | ALOX15CYP2C9CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL7429254 | 0.73 | CYP2C9 (0.64) | ALOX15CYP2C9CYP1A2CYP3A4CYP2C19 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6121284-A | SPECIFIED 1-(ALKYL OR CYCLOALKYL)-2-METHYL-3-(ALKOXYCARBONYL)-4-(SUBSTITUTED PYRIDYL OR ARYL)-5-OXO-1,4,5,6,7,8-HEXAHYDROQUINOLINE COMPOUNDS; TREATING SICKLE CELL ANEMIA, PSYCHOSES, DEPRESSION | BAYER AKTIENGESELLSCHAFT (DE) | 2000-09-19 | — | — | US | disclosed |