Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.56 |
| ▸ | GAA | P10253 | 4/20 | 0.54 |
| ▸ | HTT | P42858 | 4/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.51 |
| ▸ | MEN1 | O00255 | 3/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.51 |
| ▸ | LMNA | P02545 | 3/20 | 0.50 |
| ▸ | RXRA | P19793 | 1/20 | 0.46 |
| ▸ | RXRB | P28702 | 1/20 | 0.46 |
| ▸ | RXRG | P48443 | 1/20 | 0.46 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10787315 | 0.85 | ALDH1A1 (0.58) | ALDH1A1CYP1A2CYP2D6CYP2C19HSD17B10 | |
| SCHEMBL18353949 | 0.83 | ALDH1A1 (0.56) | ALDH1A1CYP1A2CYP2D6CYP2C19HSD17B10 | |
| SCHEMBL18294049 | 0.83 | ALDH1A1 (0.56) | ALDH1A1CYP1A2CYP2D6CYP2C19HSD17B10 | |
| SCHEMBL11133824 | 0.83 | ALDH1A1 (0.60) | ALDH1A1CYP1A2CYP2D6CYP2C19HSD17B10 | |
| SCHEMBL12958170 | 0.83 | ALDH1A1 (0.56) | ALDH1A1CYP1A2CYP2D6CYP2C19HSD17B10 | |
| SCHEMBL10603372 | 0.82 | CYP1A2 (0.58) | ALDH1A1CYP1A2CYP2D6CYP2C19HSD17B10 | |
| SCHEMBL8136300 | 0.81 | ALDH1A1 (0.58) | ALDH1A1CYP1A2CYP2D6CYP2C19HSD17B10 | |
| SCHEMBL18353980 | 0.81 | CYP1A2 (0.57) | ALDH1A1CYP1A2CYP2D6CYP2C19HSD17B10 | |
| SCHEMBL12384894 | 0.81 | CYP1A2 (0.57) | ALDH1A1CYP1A2CYP2D6CYP2C19HSD17B10 | |
| SCHEMBL4855780 | 0.81 | KDM4E (0.61) | ALDH1A1CYP1A2CYP2D6CYP2C19HSD17B10 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1315830-A | Method for treating anxiety disorders | LILLY CO ELI (US) | 2001-10-03 | — | — | CN | disclosed |
| US-6242450-B1 | SUBSTITUTED PIPERIDINES | ELI LILLY AND COMPANY | 2001-06-05 | — | — | US | disclosed |
| WO-2000006082-A2 | TREATMENT OF ANXIETY DISORDERS | ELI LILLY AND COMPANY (US) | 2000-02-10 | — | — | WO | disclosed |
| WO-2000006166-A1 | 5-HT1F ANTAGONISTS | ELI LILLY AND COMPANY (US) | 2000-02-10 | — | — | WO | disclosed |