Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.43 |
| ▸ | MGAM | O43451 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | SI | P14410 | 1/20 | 0.42 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | RAD52 | P43351 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.39 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6206533 | 0.98 | ALDH1A1 (0.41) | ALDH1A1HSD17B10CYP3A4HPGDTSHR | |
| SCHEMBL20987747 | 0.81 | ACHE (0.44) | ALDH1A1HSD17B10CYP3A4HPGDTSHR | |
| SCHEMBL29940612 | 0.79 | IKBKB (0.44) | ALDH1A1HSD17B10CYP3A4ALOX5HPRT1 | |
| SCHEMBL6388565 | 0.79 | IKBKB (0.44) | ALDH1A1HSD17B10CYP3A4ALOX5HPRT1 | |
| SCHEMBL24432375 | 0.78 | IKBKB (0.46) | ALDH1A1HSD17B10CYP3A4HPGDTSHR | |
| SCHEMBL12124161 | 0.77 | ALDH1A1 (0.46) | ALDH1A1HSD17B10CYP3A4HPGDTSHR | |
| SCHEMBL29404887 | 0.75 | KDM4E (0.46) | ALDH1A1HSD17B10CYP3A4HPGDTSHR | |
| SCHEMBL3845599 | 0.75 | KDM4E (0.46) | ALDH1A1HSD17B10CYP3A4HPGDTSHR | |
| SCHEMBL28174443 | 0.75 | ACHE (0.43) | ALDH1A1HSD17B10CYP3A4HPGDTSHR | |
| SCHEMBL20036860 | 0.74 | CYP1A2 (0.43) | ALDH1A1HSD17B10CYP3A4HPGDTSHR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1546134-A1 | PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES | ELI LILLY AND COMPANY (US) | 2005-06-29 | — | — | EP | disclosed |
| WO-2004014895-A1 | PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES | ELI LILLY AND COMPANY (US) | 2004-02-19 | — | — | WO | disclosed |