Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.45 |
| ▸ | GAA | P10253 | 4/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | HPGD | P15428 | 3/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL8081791 | 0.89 | PYGL (0.44) | TSHRKDM4EHSD17B10GAAHPGD | |
| SCHEMBL8086890 | 0.82 | NPSR1 (0.65) | TSHRKDM4EHSD17B10GAANPSR1 | |
| SCHEMBL8438483 | 0.77 | TSHR (0.60) | TSHRKDM4EHSD17B10GAACYP2C9 | |
| SCHEMBL8199258 | 0.75 | TSHR (0.73) | TSHRKDM4EHSD17B10GAACYP2C9 | |
| SCHEMBL8318492 | 0.74 | LMNA (0.44) | TSHRKDM4EHSD17B10GAACYP2C9 | |
| SCHEMBL8080963 | 0.74 | KMT2A (0.47) | TSHRKDM4EGAANPSR1KMT2A | |
| SCHEMBL10113509 | 0.74 | LMNA (0.62) | TSHRKDM4EHSD17B10GAACYP2C9 | |
| SCHEMBL8321322 | 0.73 | KMT2A (0.39) | TSHRKDM4EHSD17B10GAACYP2C9 | |
| SCHEMBL10280224 | 0.73 | TSHR (0.66) | TSHRKDM4EHSD17B10GAACYP2C9 | |
| SCHEMBL8320521 | 0.73 | KMT2A (0.38) | TSHRKDM4EHSD17B10GAACYP2C9 |
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 | claimed |